2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate

C11H15ClN2O2 — CID 106817060

IUPAC2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate
SMILESCc1ccc(CNCCOC(N)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-8-2-3-9(6-10(8)12)7-14-4-5-16-11(13)15/h2-3,6,14H,4-5,7H2,1H3,(H2,13,15)
InChIKeyOUNLUFSSZFBUCG-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.83
Rot. Bonds5

About 2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate

2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate (PubChem CID 106817060) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate
PubChem CID106817060
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate
SMILESCc1ccc(CNCCOC(N)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-8-2-3-9(6-10(8)12)7-14-4-5-16-11(13)15/h2-3,6,14H,4-5,7H2,1H3,(H2,13,15)
InChIKeyOUNLUFSSZFBUCG-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide
CID 119049704
2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
CID 83210925
N-[(3-chloro-4-methylphenyl)methyl]-2-(3,4-dichlorophenoxy)ethanamine
CID 67864198
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
CID 83211785
2-but-3-enoxy-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106833860
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
3-[(3-chloro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 106816742
N-[(3-chloro-4-methylphenyl)methyl]-2-ethylsulfonylethanamine
CID 106833820
N-[(3-chloro-4-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 106817046
2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate
CID 83210921
N-[(3-chloro-4-methylphenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 106816722
2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate (CID 106817060) is 2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate is Cc1ccc(CNCCOC(N)=O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate?
The InChIKey is OUNLUFSSZFBUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8-2-3-9(6-10(8)12)7-14-4-5-16-11(13)15/h2-3,6,14H,4-5,7H2,1H3,(H2,13,15).
What are the key properties of 2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate?
2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate has a molecular weight of 242.71 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate is sourced from PubChem (CID 106817060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).