3-chloro-N-[2-(3-methylphenyl)ethyl]aniline

C15H16ClN — CID 68835949

IUPAC3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
SMILESCc1cccc(CCNc2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClN/c1-12-4-2-5-13(10-12)8-9-17-15-7-3-6-14(16)11-15/h2-7,10-11,17H,8-9H2,1H3
InChIKeyGTGUKRUGVXJWHU-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.30
Rot. Bonds4

About 3-chloro-N-[2-(3-methylphenyl)ethyl]aniline

3-chloro-N-[2-(3-methylphenyl)ethyl]aniline (PubChem CID 68835949) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
PubChem CID68835949
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
SMILESCc1cccc(CCNc2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClN/c1-12-4-2-5-13(10-12)8-9-17-15-7-3-6-14(16)11-15/h2-7,10-11,17H,8-9H2,1H3
InChIKeyGTGUKRUGVXJWHU-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

4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
CID 90944409
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890184
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
CID 114468210

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-methylphenyl)ethyl]aniline?
The IUPAC name of 3-chloro-N-[2-(3-methylphenyl)ethyl]aniline (CID 68835949) is 3-chloro-N-[2-(3-methylphenyl)ethyl]aniline.
What is the SMILES notation for 3-chloro-N-[2-(3-methylphenyl)ethyl]aniline?
The canonical SMILES for 3-chloro-N-[2-(3-methylphenyl)ethyl]aniline is Cc1cccc(CCNc2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[2-(3-methylphenyl)ethyl]aniline?
The InChIKey is GTGUKRUGVXJWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12-4-2-5-13(10-12)8-9-17-15-7-3-6-14(16)11-15/h2-7,10-11,17H,8-9H2,1H3.
What are the key properties of 3-chloro-N-[2-(3-methylphenyl)ethyl]aniline?
3-chloro-N-[2-(3-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 3-chloro-N-[2-(3-methylphenyl)ethyl]aniline is sourced from PubChem (CID 68835949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).