[4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate

C15H15ClN2O2 — CID 79337961

IUPAC[4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate
SMILESNCCc1ccc(OC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-13-3-1-2-4-14(13)18-15(19)20-12-7-5-11(6-8-12)9-10-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyZOUZWVGWCMUSPJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.45
Rot. Bonds4

About [4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate

[4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate (PubChem CID 79337961) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate
PubChem CID79337961
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name[4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate
SMILESNCCc1ccc(OC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-13-3-1-2-4-14(13)18-15(19)20-12-7-5-11(6-8-12)9-10-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyZOUZWVGWCMUSPJ-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate
CID 79341773
(4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate
CID 3542576
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
CID 48980503
phenyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 43369849
2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
phenyl N-(2-fluorophenyl)carbamate
CID 3790948
phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
CID 164583961

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate?
The IUPAC name of [4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate (CID 79337961) is [4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate.
What is the SMILES notation for [4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate?
The canonical SMILES for [4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate is NCCc1ccc(OC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate?
The InChIKey is ZOUZWVGWCMUSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-13-3-1-2-4-14(13)18-15(19)20-12-7-5-11(6-8-12)9-10-17/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of [4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate?
[4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate has a molecular weight of 290.75 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate is sourced from PubChem (CID 79337961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).