[4-(3-chloroprop-1-enyl)phenyl]methanamine

C10H12ClN — CID 169477052

IUPAC[4-(3-chloroprop-1-enyl)phenyl]methanamine
SMILESNCc1ccc(C=CCCl)cc1
InChIInChI=1S/C10H12ClN/c11-7-1-2-9-3-5-10(8-12)6-4-9/h1-6H,7-8,12H2
InChIKeySRWMZFYNOFITAB-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.40
Rot. Bonds3

About [4-(3-chloroprop-1-enyl)phenyl]methanamine

[4-(3-chloroprop-1-enyl)phenyl]methanamine (PubChem CID 169477052) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is [4-(3-chloroprop-1-enyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-chloroprop-1-enyl)phenyl]methanamine
PubChem CID169477052
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name[4-(3-chloroprop-1-enyl)phenyl]methanamine
SMILESNCc1ccc(C=CCCl)cc1
InChIInChI=1S/C10H12ClN/c11-7-1-2-9-3-5-10(8-12)6-4-9/h1-6H,7-8,12H2
InChIKeySRWMZFYNOFITAB-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene
CID 125465400
[4-(2-iodoethenyl)phenyl]methanamine
CID 174758565
3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide
CID 174751962
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170495473
[4-(aminomethyl)phenyl]methanamine;tetrachlorostannane
CID 175880044
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
4-[(E)-3-chloroprop-1-enyl]pyridine
CID 19985704
3-[4-(aminomethyl)phenyl]prop-2-enal
CID 151004676
2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol
CID 174929671
4-(3-chloroprop-1-enyl)benzoic acid
CID 169477180
[4-[3-(aziridin-1-ylsulfonyl)prop-1-enyl]phenyl]methanamine
CID 174752037
4-(3-chloroprop-1-enyl)benzenecarboximidamide
CID 169477282

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroprop-1-enyl)phenyl]methanamine?
The IUPAC name of [4-(3-chloroprop-1-enyl)phenyl]methanamine (CID 169477052) is [4-(3-chloroprop-1-enyl)phenyl]methanamine.
What is the SMILES notation for [4-(3-chloroprop-1-enyl)phenyl]methanamine?
The canonical SMILES for [4-(3-chloroprop-1-enyl)phenyl]methanamine is NCc1ccc(C=CCCl)cc1.
What is the InChIKey of [4-(3-chloroprop-1-enyl)phenyl]methanamine?
The InChIKey is SRWMZFYNOFITAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c11-7-1-2-9-3-5-10(8-12)6-4-9/h1-6H,7-8,12H2.
What are the key properties of [4-(3-chloroprop-1-enyl)phenyl]methanamine?
[4-(3-chloroprop-1-enyl)phenyl]methanamine has a molecular weight of 181.67 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloroprop-1-enyl)phenyl]methanamine is sourced from PubChem (CID 169477052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).