3-(4-chloro-2-methylphenyl)prop-2-en-1-amine

C10H12ClN — CID 169463160

IUPAC3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
SMILESCc1cc(Cl)ccc1C=CCN
InChIInChI=1S/C10H12ClN/c1-8-7-10(11)5-4-9(8)3-2-6-12/h2-5,7H,6,12H2,1H3
InChIKeyNLUOZYFKIJWRQR-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.62
Rot. Bonds2

About 3-(4-chloro-2-methylphenyl)prop-2-en-1-amine

3-(4-chloro-2-methylphenyl)prop-2-en-1-amine (PubChem CID 169463160) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
PubChem CID169463160
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
SMILESCc1cc(Cl)ccc1C=CCN
InChIInChI=1S/C10H12ClN/c1-8-7-10(11)5-4-9(8)3-2-6-12/h2-5,7H,6,12H2,1H3
InChIKeyNLUOZYFKIJWRQR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenyl)prop-2-en-1-amine?
The IUPAC name of 3-(4-chloro-2-methylphenyl)prop-2-en-1-amine (CID 169463160) is 3-(4-chloro-2-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)prop-2-en-1-amine is Cc1cc(Cl)ccc1C=CCN.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)prop-2-en-1-amine?
The InChIKey is NLUOZYFKIJWRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-8-7-10(11)5-4-9(8)3-2-6-12/h2-5,7H,6,12H2,1H3.
What are the key properties of 3-(4-chloro-2-methylphenyl)prop-2-en-1-amine?
3-(4-chloro-2-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 3-(4-chloro-2-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 169463160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).