[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate

C16H17ClN2O2 — CID 79341773

IUPAC[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)Oc2ccc(CCN)cc2)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11-2-5-13(10-15(11)17)19-16(20)21-14-6-3-12(4-7-14)8-9-18/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyIYONOLWOGOPKRS-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.76
Rot. Bonds4

About [4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate

[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate (PubChem CID 79341773) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate
PubChem CID79341773
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)Oc2ccc(CCN)cc2)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11-2-5-13(10-15(11)17)19-16(20)21-14-6-3-12(4-7-14)8-9-18/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyIYONOLWOGOPKRS-UHFFFAOYSA-N
XLogP3.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
[4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate
CID 79337961
(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
CID 7996910
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
3-bromopropyl N-(3-chloro-4-methylphenyl)carbamate
CID 103970695
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 19649925
N-(3-chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964469
2-[4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126272760
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
2-[4-(3-chloro-4-methylphenyl)phenyl]ethanamine
CID 110282226
N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351455

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate?
The IUPAC name of [4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate (CID 79341773) is [4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate.
What is the SMILES notation for [4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate?
The canonical SMILES for [4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate is Cc1ccc(NC(=O)Oc2ccc(CCN)cc2)cc1Cl.
What is the InChIKey of [4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate?
The InChIKey is IYONOLWOGOPKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-2-5-13(10-15(11)17)19-16(20)21-14-6-3-12(4-7-14)8-9-18/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of [4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate?
[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate has a molecular weight of 304.78 g/mol, XLogP of 3.76, 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-(3-chloro-4-methylphenyl)carbamate is sourced from PubChem (CID 79341773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).