[2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate

C14H19ClN2O2 — CID 79337964

IUPAC[2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate
SMILESNCC1CCCCC1OC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c15-11-5-7-12(8-6-11)17-14(18)19-13-4-2-1-3-10(13)9-16/h5-8,10,13H,1-4,9,16H2,(H,17,18)
InChIKeyUEIUFVCSNNAENC-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.41
Rot. Bonds3

About [2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate

[2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate (PubChem CID 79337964) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate
PubChem CID79337964
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name[2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate
SMILESNCC1CCCCC1OC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c15-11-5-7-12(8-6-11)17-14(18)19-13-4-2-1-3-10(13)9-16/h5-8,10,13H,1-4,9,16H2,(H,17,18)
InChIKeyUEIUFVCSNNAENC-UHFFFAOYSA-N
XLogP3.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate
CID 79337148
[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(4-chlorophenyl)carbamate
CID 7290179
(2-aminocyclopentyl) N-(4-fluorophenyl)carbamate
CID 113395530
[(1S,2R)-2-methylcyclohexyl] N-[4-[[4-[[(1S,2R)-2-methylcyclohexyl]oxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 124919110
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
CID 79337548
(5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate
CID 18370052
4-[(4-tert-butylcyclohexyl)oxycarbonylamino]benzoic acid;4-(cyclohexyloxycarbonylamino)benzoic acid;ethane;4-[(2-ethylcyclohexyl)oxycarbonylamino]benzoic acid
CID 159216606
[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
CID 43621910
[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl] N-(4-chlorophenyl)carbamate
CID 1260867
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate
CID 21330362
methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053537

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate (CID 79337964) is [2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate is NCC1CCCCC1OC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate?
The InChIKey is UEIUFVCSNNAENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-5-7-12(8-6-11)17-14(18)19-13-4-2-1-3-10(13)9-16/h5-8,10,13H,1-4,9,16H2,(H,17,18).
What are the key properties of [2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate?
[2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate has a molecular weight of 282.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 79337964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).