2-chloro-N-[2-(2-methylphenyl)ethyl]aniline

C15H16ClN — CID 54796032

IUPAC2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
SMILESCc1ccccc1CCNc1ccccc1Cl
InChIInChI=1S/C15H16ClN/c1-12-6-2-3-7-13(12)10-11-17-15-9-5-4-8-14(15)16/h2-9,17H,10-11H2,1H3
InChIKeyOUZNGVWOIRPKII-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.30
Rot. Bonds4

About 2-chloro-N-[2-(2-methylphenyl)ethyl]aniline

2-chloro-N-[2-(2-methylphenyl)ethyl]aniline (PubChem CID 54796032) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
PubChem CID54796032
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
SMILESCc1ccccc1CCNc1ccccc1Cl
InChIInChI=1S/C15H16ClN/c1-12-6-2-3-7-13(12)10-11-17-15-9-5-4-8-14(15)16/h2-9,17H,10-11H2,1H3
InChIKeyOUZNGVWOIRPKII-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline
CID 54797840
2-[2-(2-methylphenyl)ethylamino]benzenecarbothioamide
CID 79749161
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036591
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208
2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
CID 102824301
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylphenyl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[2-(2-methylphenyl)ethyl]aniline (CID 54796032) is 2-chloro-N-[2-(2-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[2-(2-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[2-(2-methylphenyl)ethyl]aniline is Cc1ccccc1CCNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methylphenyl)ethyl]aniline?
The InChIKey is OUZNGVWOIRPKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12-6-2-3-7-13(12)10-11-17-15-9-5-4-8-14(15)16/h2-9,17H,10-11H2,1H3.
What are the key properties of 2-chloro-N-[2-(2-methylphenyl)ethyl]aniline?
2-chloro-N-[2-(2-methylphenyl)ethyl]aniline has a molecular weight of 245.75 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylphenyl)ethyl]aniline is sourced from PubChem (CID 54796032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).