1-(3-chloro-2-ethylphenyl)ethanamine

C10H14ClN — CID 55282623

IUPAC1-(3-chloro-2-ethylphenyl)ethanamine
SMILESCCc1c(Cl)cccc1C(C)N
InChIInChI=1S/C10H14ClN/c1-3-8-9(7(2)12)5-4-6-10(8)11/h4-7H,3,12H2,1-2H3
InChIKeyITHCFRUZPHRZKB-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.92
Rot. Bonds2

About 1-(3-chloro-2-ethylphenyl)ethanamine

1-(3-chloro-2-ethylphenyl)ethanamine (PubChem CID 55282623) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 1-(3-chloro-2-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-ethylphenyl)ethanamine
PubChem CID55282623
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name1-(3-chloro-2-ethylphenyl)ethanamine
SMILESCCc1c(Cl)cccc1C(C)N
InChIInChI=1S/C10H14ClN/c1-3-8-9(7(2)12)5-4-6-10(8)11/h4-7H,3,12H2,1-2H3
InChIKeyITHCFRUZPHRZKB-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-diethylphenyl)ethanamine
CID 130066606
(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid
CID 130641092
(1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine
CID 130713588
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride
CID 163284852
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
3-(1-aminoethyl)-2-ethylbenzoic acid
CID 55295988
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
1-(bromomethyl)-3-chloro-2-ethylbenzene
CID 22641961
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine
CID 117290539

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethylphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-2-ethylphenyl)ethanamine (CID 55282623) is 1-(3-chloro-2-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-ethylphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-ethylphenyl)ethanamine is CCc1c(Cl)cccc1C(C)N.
What is the InChIKey of 1-(3-chloro-2-ethylphenyl)ethanamine?
The InChIKey is ITHCFRUZPHRZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-8-9(7(2)12)5-4-6-10(8)11/h4-7H,3,12H2,1-2H3.
What are the key properties of 1-(3-chloro-2-ethylphenyl)ethanamine?
1-(3-chloro-2-ethylphenyl)ethanamine has a molecular weight of 183.68 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethylphenyl)ethanamine is sourced from PubChem (CID 55282623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).