2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate

C14H19ClN2O2 — CID 67148684

IUPAC2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(Cl)c(CNC2CC2)c1
InChIInChI=1S/C14H19ClN2O2/c1-16-14(18)19-7-6-10-2-5-13(15)11(8-10)9-17-12-3-4-12/h2,5,8,12,17H,3-4,6-7,9H2,1H3,(H,16,18)
InChIKeyUZZUOJKMFMPBRC-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.49
Rot. Bonds6

About 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate

2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate (PubChem CID 67148684) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate
PubChem CID67148684
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(Cl)c(CNC2CC2)c1
InChIInChI=1S/C14H19ClN2O2/c1-16-14(18)19-7-6-10-2-5-13(15)11(8-10)9-17-12-3-4-12/h2,5,8,12,17H,3-4,6-7,9H2,1H3,(H,16,18)
InChIKeyUZZUOJKMFMPBRC-UHFFFAOYSA-N
XLogP2.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate
CID 67148615
N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine
CID 174738442
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide
CID 67148598
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl-cyclopropylcarbamic acid
CID 143519113
tert-butyl N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcarbamate
CID 68506750
N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 67148430
N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide
CID 67479338
N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
CID 66899598
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
4-[(2-chloro-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 102616799
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 103792554
ethyl 4-[(3-bromo-4-chlorophenyl)methylamino]cyclohexane-1-carboxylate
CID 83232807

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate?
The IUPAC name of 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate (CID 67148684) is 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate is CNC(=O)OCCc1ccc(Cl)c(CNC2CC2)c1.
What is the InChIKey of 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate?
The InChIKey is UZZUOJKMFMPBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-14(18)19-7-6-10-2-5-13(15)11(8-10)9-17-12-3-4-12/h2,5,8,12,17H,3-4,6-7,9H2,1H3,(H,16,18).
What are the key properties of 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate?
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate has a molecular weight of 282.77 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate is sourced from PubChem (CID 67148684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).