(1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine

C25H25ClFN5O — CID 1439031

IUPAC(1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
SMILESFc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2ccco2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C25H25ClFN5O/c26-23-10-4-1-6-19(23)16-31(17-22-9-5-15-33-22)24(18-11-13-20(27)14-12-18)25-28-29-30-32(25)21-7-2-3-8-21/h1,4-6,9-15,21,24H,2-3,7-8,16-17H2/t24-/m1/s1
InChIKeyPVFORYJQTHHQPM-XMMPIXPASA-N
MW465.96 g/mol
LogP5.97
Rot. Bonds8

About (1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine

(1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 1439031) has the molecular formula C25H25ClFN5O and a molecular weight of 465.96 g/mol. Its IUPAC name is (1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name(1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
PubChem CID1439031
Molecular FormulaC25H25ClFN5O
Molecular Weight465.96 g/mol
Exact Mass465.17
IUPAC Name(1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
SMILESFc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2ccco2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C25H25ClFN5O/c26-23-10-4-1-6-19(23)16-31(17-22-9-5-15-33-22)24(18-11-13-20(27)14-12-18)25-28-29-30-32(25)21-7-2-3-8-21/h1,4-6,9-15,21,24H,2-3,7-8,16-17H2/t24-/m1/s1
InChIKeyPVFORYJQTHHQPM-XMMPIXPASA-N
XLogP5.97
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
CID 3193711
(1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine
CID 28626465
7-[(S)-[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1074642
3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3150315
3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3150169
3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3150316
N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine
CID 3173829
3-[(S)-[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 28606535
3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 3187127
3-[(R)-[benzyl(furan-2-ylmethyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 40611269
1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 3193663
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204292

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of (1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine (CID 1439031) is (1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for (1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for (1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine is Fc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2ccco2)Cc2ccccc2Cl)cc1.
What is the InChIKey of (1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is PVFORYJQTHHQPM-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25ClFN5O/c26-23-10-4-1-6-19(23)16-31(17-22-9-5-15-33-22)24(18-11-13-20(27)14-12-18)25-28-29-30-32(25)21-7-2-3-8-21/h1,4-6,9-15,21,24H,2-3,7-8,16-17H2/t24-/m1/s1.
What are the key properties of (1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine?
(1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 465.96 g/mol, XLogP of 5.97, 8 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]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 1439031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).