(1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine

C23H30ClN5O2 — CID 25413865

IUPAC(1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCOCCn1nnnc1[C@@H](C(C)C)N(Cc1ccc(OC)cc1)Cc1ccccc1Cl
InChIInChI=1S/C23H30ClN5O2/c1-17(2)22(23-25-26-27-29(23)13-14-30-3)28(16-19-7-5-6-8-21(19)24)15-18-9-11-20(31-4)12-10-18/h5-12,17,22H,13-16H2,1-4H3/t22-/m1/s1
InChIKeyIDTLSWPHWIYCIY-JOCHJYFZSA-N
MW443.98 g/mol
LogP4.38
Rot. Bonds11

About (1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine

(1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 25413865) has the molecular formula C23H30ClN5O2 and a molecular weight of 443.98 g/mol. Its IUPAC name is (1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID25413865
Molecular FormulaC23H30ClN5O2
Molecular Weight443.98 g/mol
Exact Mass443.21
IUPAC Name(1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCOCCn1nnnc1[C@@H](C(C)C)N(Cc1ccc(OC)cc1)Cc1ccccc1Cl
InChIInChI=1S/C23H30ClN5O2/c1-17(2)22(23-25-26-27-29(23)13-14-30-3)28(16-19-7-5-6-8-21(19)24)15-18-9-11-20(31-4)12-10-18/h5-12,17,22H,13-16H2,1-4H3/t22-/m1/s1
InChIKeyIDTLSWPHWIYCIY-JOCHJYFZSA-N
XLogP4.38
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[benzyl-[(2-chlorophenyl)methyl]amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 3150373
(1R)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 1438756
6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3203111
N-benzyl-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 3229311
benzyl-[(2-chlorophenyl)methyl]-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium
CID 7140928
(1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
CID 1439024
3-[[benzyl-[(2-chlorophenyl)methyl]amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 3150089
3-[(R)-[benzyl-[(2-chlorophenyl)methyl]amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 28607072
3-[[(2-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 3195800
8-[[(4-methoxyphenyl)methyl-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1436431
3-[[(2-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3195843
7-methoxy-3-[[[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1436409

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine (CID 25413865) is (1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine is COCCn1nnnc1[C@@H](C(C)C)N(Cc1ccc(OC)cc1)Cc1ccccc1Cl.
What is the InChIKey of (1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is IDTLSWPHWIYCIY-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30ClN5O2/c1-17(2)22(23-25-26-27-29(23)13-14-30-3)28(16-19-7-5-6-8-21(19)24)15-18-9-11-20(31-4)12-10-18/h5-12,17,22H,13-16H2,1-4H3/t22-/m1/s1.
What are the key properties of (1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
(1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 443.98 g/mol, XLogP of 4.38, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 25413865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).