(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine

C10H12ClN — CID 117278991

IUPAC(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
SMILESCc1cccc(/C=C/CN)c1Cl
InChIInChI=1S/C10H12ClN/c1-8-4-2-5-9(10(8)11)6-3-7-12/h2-6H,7,12H2,1H3/b6-3+
InChIKeyUWJAOHXDAXFXIQ-ZZXKWVIFSA-N
MW181.67 g/mol
LogP2.62
Rot. Bonds2

About (E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine

(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine (PubChem CID 117278991) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
PubChem CID117278991
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
SMILESCc1cccc(/C=C/CN)c1Cl
InChIInChI=1S/C10H12ClN/c1-8-4-2-5-9(10(8)11)6-3-7-12/h2-6H,7,12H2,1H3/b6-3+
InChIKeyUWJAOHXDAXFXIQ-ZZXKWVIFSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-3-methylphenyl)prop-2-ene-1-thiol
CID 169454665
2-chloro-1-methyl-3-prop-1-enylbenzene
CID 123915318
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
CID 169463160
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183
(E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine
CID 117280803
(E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine
CID 131237474
2-(3-aminoprop-1-enyl)aniline
CID 67152713
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
CID 170486516
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine (CID 117278991) is (E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine is Cc1cccc(/C=C/CN)c1Cl.
What is the InChIKey of (E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine?
The InChIKey is UWJAOHXDAXFXIQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H12ClN/c1-8-4-2-5-9(10(8)11)6-3-7-12/h2-6H,7,12H2,1H3/b6-3+.
What are the key properties of (E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine?
(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine has a molecular weight of 181.67 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117278991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).