(1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine

C22H30ClN5O — CID 1439019

IUPAC(1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine
SMILESCCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1ccccc1Cl
InChIInChI=1S/C22H30ClN5O/c1-6-22(4,5)28-21(24-25-26-28)20(16(2)3)27(15-18-11-9-13-29-18)14-17-10-7-8-12-19(17)23/h7-13,16,20H,6,14-15H2,1-5H3/t20-/m1/s1
InChIKeyQNTIILOTWRKPGY-HXUWFJFHSA-N
MW415.97 g/mol
LogP5.46
Rot. Bonds9

About (1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine

(1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine (PubChem CID 1439019) has the molecular formula C22H30ClN5O and a molecular weight of 415.97 g/mol. Its IUPAC name is (1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine
PubChem CID1439019
Molecular FormulaC22H30ClN5O
Molecular Weight415.97 g/mol
Exact Mass415.21
IUPAC Name(1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine
SMILESCCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1ccccc1Cl
InChIInChI=1S/C22H30ClN5O/c1-6-22(4,5)28-21(24-25-26-28)20(16(2)3)27(15-18-11-9-13-29-18)14-17-10-7-8-12-19(17)23/h7-13,16,20H,6,14-15H2,1-5H3/t20-/m1/s1
InChIKeyQNTIILOTWRKPGY-HXUWFJFHSA-N
XLogP5.46
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.97
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
CID 1439024
(1R)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 1438756
3-[[furan-2-ylmethyl-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204306
3-[[furan-2-ylmethyl-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1436352
6-ethoxy-3-[[furan-2-ylmethyl-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
CID 3204312
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1436069
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3203374
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1437994
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
3-[(S)-(1-tert-butyltetrazol-5-yl)-[(2-chlorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 40612000
2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 3193719
(1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
CID 1439031

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine?
The IUPAC name of (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) is (1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine.
What is the SMILES notation for (1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine?
The canonical SMILES for (1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine is CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1ccccc1Cl.
What is the InChIKey of (1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine?
The InChIKey is QNTIILOTWRKPGY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30ClN5O/c1-6-22(4,5)28-21(24-25-26-28)20(16(2)3)27(15-18-11-9-13-29-18)14-17-10-7-8-12-19(17)23/h7-13,16,20H,6,14-15H2,1-5H3/t20-/m1/s1.
What are the key properties of (1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine?
(1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine has a molecular weight of 415.97 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine is sourced from PubChem (CID 1439019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).