[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid

C14H19ClN2O2 — CID 69089641

IUPAC[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid
SMILESNC1CCC(C(NC(=O)O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O2/c15-11-3-1-2-10(8-11)13(17-14(18)19)9-4-6-12(16)7-5-9/h1-3,8-9,12-13,17H,4-7,16H2,(H,18,19)
InChIKeyMWQOXLYADSRTCB-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.17
Rot. Bonds3

About [(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid

[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid (PubChem CID 69089641) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is [(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid.

Molecular Properties

Compound Name[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid
PubChem CID69089641
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid
SMILESNC1CCC(C(NC(=O)O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O2/c15-11-3-1-2-10(8-11)13(17-14(18)19)9-4-6-12(16)7-5-9/h1-3,8-9,12-13,17H,4-7,16H2,(H,18,19)
InChIKeyMWQOXLYADSRTCB-UHFFFAOYSA-N
XLogP3.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide
CID 119476760
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119478530
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide
CID 170580069
2-(4-aminopiperidin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371581
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288

Frequently Asked Questions

What is the IUPAC name of [(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid?
The IUPAC name of [(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid (CID 69089641) is [(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid.
What is the SMILES notation for [(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid?
The canonical SMILES for [(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid is NC1CCC(C(NC(=O)O)c2cccc(Cl)c2)CC1.
What is the InChIKey of [(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid?
The InChIKey is MWQOXLYADSRTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-3-1-2-10(8-11)13(17-14(18)19)9-4-6-12(16)7-5-9/h1-3,8-9,12-13,17H,4-7,16H2,(H,18,19).
What are the key properties of [(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid?
[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid has a molecular weight of 282.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid is sourced from PubChem (CID 69089641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).