(1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine

C24H26ClN5O — CID 1439024

IUPAC(1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl
InChIInChI=1S/C24H26ClN5O/c1-18(2)23(24-26-27-28-30(24)15-19-9-4-3-5-10-19)29(17-21-12-8-14-31-21)16-20-11-6-7-13-22(20)25/h3-14,18,23H,15-17H2,1-2H3/t23-/m1/s1
InChIKeyOKLOUHFQDTYREC-HSZRJFAPSA-N
MW435.96 g/mol
LogP5.37
Rot. Bonds9

About (1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine

(1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine (PubChem CID 1439024) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is (1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
PubChem CID1439024
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name(1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl
InChIInChI=1S/C24H26ClN5O/c1-18(2)23(24-26-27-28-30(24)15-19-9-4-3-5-10-19)29(17-21-12-8-14-31-21)16-20-11-6-7-13-22(20)25/h3-14,18,23H,15-17H2,1-2H3/t23-/m1/s1
InChIKeyOKLOUHFQDTYREC-HSZRJFAPSA-N
XLogP5.37
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine
CID 1439019
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1436863
7-[[(2-chlorophenyl)methyl-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1438116
(1R)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 1438756
(1R)-N-[(2-chlorophenyl)methyl]-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 25413865
3-[(R)-[(2-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 98100840
1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine chloride
CID 53313923
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1465111
1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 3193663
3-[(R)-[(2-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1471068
1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 3193670
3-[[[(1R)-1-(1-benzyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1465195

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine (CID 1439024) is (1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine is CC(C)[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl.
What is the InChIKey of (1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is OKLOUHFQDTYREC-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-18(2)23(24-26-27-28-30(24)15-19-9-4-3-5-10-19)29(17-21-12-8-14-31-21)16-20-11-6-7-13-22(20)25/h3-14,18,23H,15-17H2,1-2H3/t23-/m1/s1.
What are the key properties of (1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine?
(1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 435.96 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 1439024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).