(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate

C14H19ClN2O2 — CID 79337748

IUPAC(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
SMILESNC1(COC(=O)Nc2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C14H19ClN2O2/c15-11-5-4-6-12(9-11)17-13(18)19-10-14(16)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,16H2,(H,17,18)
InChIKeyCIJOVCMZAQKSCV-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.55
Rot. Bonds3

About (1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate

(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate (PubChem CID 79337748) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
PubChem CID79337748
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
SMILESNC1(COC(=O)Nc2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C14H19ClN2O2/c15-11-5-4-6-12(9-11)17-13(18)19-10-14(16)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,16H2,(H,17,18)
InChIKeyCIJOVCMZAQKSCV-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
CID 79337548
(1-aminocyclopentyl)methyl N-(3-methoxyphenyl)carbamate
CID 79337035
(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
CID 79337235
(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119294398
methyl N-(3-chlorophenyl)carbamate
CID 16529
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate
CID 819742
3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
CID 64678413

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate?
The IUPAC name of (1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate (CID 79337748) is (1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for (1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for (1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate is NC1(COC(=O)Nc2cccc(Cl)c2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate?
The InChIKey is CIJOVCMZAQKSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-5-4-6-12(9-11)17-13(18)19-10-14(16)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,16H2,(H,17,18).
What are the key properties of (1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate?
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate has a molecular weight of 282.77 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 79337748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).