(2-chlorophenyl) N-(2-aminopropyl)carbamate

C10H13ClN2O2 — CID 83823727

IUPAC(2-chlorophenyl) N-(2-aminopropyl)carbamate
SMILESCC(N)CNC(=O)Oc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-7(12)6-13-10(14)15-9-5-3-2-4-8(9)11/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyADZGFLLVSVSXIM-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.78
Rot. Bonds3

About (2-chlorophenyl) N-(2-aminopropyl)carbamate

(2-chlorophenyl) N-(2-aminopropyl)carbamate (PubChem CID 83823727) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (2-chlorophenyl) N-(2-aminopropyl)carbamate.

Molecular Properties

Compound Name(2-chlorophenyl) N-(2-aminopropyl)carbamate
PubChem CID83823727
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(2-chlorophenyl) N-(2-aminopropyl)carbamate
SMILESCC(N)CNC(=O)Oc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-7(12)6-13-10(14)15-9-5-3-2-4-8(9)11/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyADZGFLLVSVSXIM-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenoxy)carbonylamino]propanoic acid
CID 83825067
(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate
CID 83823725
(2-chlorophenyl) N-(2-oxoethyl)carbamate
CID 83821380
(2-chlorophenyl) (2S)-2-(methylamino)propanoate
CID 175000753
(2,4-dimethylphenyl) N-(2-aminopropyl)carbamate
CID 83822855
(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587
1,2-dichlorobenzene;ethyl N-ethylcarbamate
CID 174679223
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
(2-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
(2-chlorophenyl) 2-methoxyacetate
CID 542147
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) N-(2-aminopropyl)carbamate?
The IUPAC name of (2-chlorophenyl) N-(2-aminopropyl)carbamate (CID 83823727) is (2-chlorophenyl) N-(2-aminopropyl)carbamate.
What is the SMILES notation for (2-chlorophenyl) N-(2-aminopropyl)carbamate?
The canonical SMILES for (2-chlorophenyl) N-(2-aminopropyl)carbamate is CC(N)CNC(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) N-(2-aminopropyl)carbamate?
The InChIKey is ADZGFLLVSVSXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7(12)6-13-10(14)15-9-5-3-2-4-8(9)11/h2-5,7H,6,12H2,1H3,(H,13,14).
What are the key properties of (2-chlorophenyl) N-(2-aminopropyl)carbamate?
(2-chlorophenyl) N-(2-aminopropyl)carbamate has a molecular weight of 228.68 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) N-(2-aminopropyl)carbamate is sourced from PubChem (CID 83823727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).