(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine

C10H12ClN — CID 54775827

IUPAC(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
SMILESCNC/C=C/c1ccccc1Cl
InChIInChI=1S/C10H12ClN/c1-12-8-4-6-9-5-2-3-7-10(9)11/h2-7,12H,8H2,1H3/b6-4+
InChIKeyNSROHINIDJTANY-GQCTYLIASA-N
MW181.67 g/mol
LogP2.57
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine

(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 54775827) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
PubChem CID54775827
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
SMILESCNC/C=C/c1ccccc1Cl
InChIInChI=1S/C10H12ClN/c1-12-8-4-6-9-5-2-3-7-10(9)11/h2-7,12H,8H2,1H3/b6-4+
InChIKeyNSROHINIDJTANY-GQCTYLIASA-N
XLogP2.57
TPSA12.03 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
CID 169473159
N-methyl-3-(2-phenylphenyl)prop-2-en-1-amine
CID 169474332
1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene
CID 59068903
3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473168
3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473484
2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169473456
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462
(E)-3-(3-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 114489355
(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114867476
1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
CID 59205815
4-(2-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598671
(E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine
CID 58788114

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine (CID 54775827) is (E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine is CNC/C=C/c1ccccc1Cl.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is NSROHINIDJTANY-GQCTYLIASA-N. The full InChI is InChI=1S/C10H12ClN/c1-12-8-4-6-9-5-2-3-7-10(9)11/h2-7,12H,8H2,1H3/b6-4+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine?
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 181.67 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 54775827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).