4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid

C19H26ClNO2 — CID 122031155

IUPAC4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(c2ccc(Cl)cc2)C2CCCC2)CC1
InChIInChI=1S/C19H26ClNO2/c20-16-9-5-14(6-10-16)18(13-3-1-2-4-13)21-17-11-7-15(8-12-17)19(22)23/h5-6,9-10,13,15,17-18,21H,1-4,7-8,11-12H2,(H,22,23)
InChIKeyMXAIPVJQRZVLGE-UHFFFAOYSA-N
MW335.87 g/mol
LogP4.80
Rot. Bonds5

About 4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid

4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122031155) has the molecular formula C19H26ClNO2 and a molecular weight of 335.87 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122031155
Molecular FormulaC19H26ClNO2
Molecular Weight335.87 g/mol
Exact Mass335.17
IUPAC Name4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(c2ccc(Cl)cc2)C2CCCC2)CC1
InChIInChI=1S/C19H26ClNO2/c20-16-9-5-14(6-10-16)18(13-3-1-2-4-13)21-17-11-7-15(8-12-17)19(22)23/h5-6,9-10,13,15,17-18,21H,1-4,7-8,11-12H2,(H,22,23)
InChIKeyMXAIPVJQRZVLGE-UHFFFAOYSA-N
XLogP4.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.87
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000934
4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]amino]cyclohexane-1-carboxylic acid
CID 122034520
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,1-dioxothian-4-amine
CID 43778641
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672939
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol
CID 43792315
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide
CID 43791713
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine
CID 43791325
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid (CID 122031155) is 4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(c2ccc(Cl)cc2)C2CCCC2)CC1.
What is the InChIKey of 4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MXAIPVJQRZVLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO2/c20-16-9-5-14(6-10-16)18(13-3-1-2-4-13)21-17-11-7-15(8-12-17)19(22)23/h5-6,9-10,13,15,17-18,21H,1-4,7-8,11-12H2,(H,22,23).
What are the key properties of 4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid?
4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 335.87 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122031155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).