2-(3-chloro-4-ethenylphenyl)ethanamine

C10H12ClN — CID 130050942

IUPAC2-(3-chloro-4-ethenylphenyl)ethanamine
SMILESC=Cc1ccc(CCN)cc1Cl
InChIInChI=1S/C10H12ClN/c1-2-9-4-3-8(5-6-12)7-10(9)11/h2-4,7H,1,5-6,12H2
InChIKeyDFVIYTOLPZPYKM-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.48
Rot. Bonds3

About 2-(3-chloro-4-ethenylphenyl)ethanamine

2-(3-chloro-4-ethenylphenyl)ethanamine (PubChem CID 130050942) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-(3-chloro-4-ethenylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-ethenylphenyl)ethanamine
PubChem CID130050942
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-(3-chloro-4-ethenylphenyl)ethanamine
SMILESC=Cc1ccc(CCN)cc1Cl
InChIInChI=1S/C10H12ClN/c1-2-9-4-3-8(5-6-12)7-10(9)11/h2-4,7H,1,5-6,12H2
InChIKeyDFVIYTOLPZPYKM-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-ethenylphenyl)ethanamine
CID 130050945
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine
CID 62384351
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
2-(3-chloro-4-methylsulfanylphenyl)ethanamine
CID 81159751
(5-chloro-2-ethenylphenyl)methanamine
CID 107430199
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine
CID 76914655
2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine
CID 23291615
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine
CID 3054967

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethenylphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-ethenylphenyl)ethanamine (CID 130050942) is 2-(3-chloro-4-ethenylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-ethenylphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-ethenylphenyl)ethanamine is C=Cc1ccc(CCN)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethenylphenyl)ethanamine?
The InChIKey is DFVIYTOLPZPYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-2-9-4-3-8(5-6-12)7-10(9)11/h2-4,7H,1,5-6,12H2.
What are the key properties of 2-(3-chloro-4-ethenylphenyl)ethanamine?
2-(3-chloro-4-ethenylphenyl)ethanamine has a molecular weight of 181.67 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethenylphenyl)ethanamine is sourced from PubChem (CID 130050942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).