3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine

C11H14ClN — CID 169473159

IUPAC3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cccc(Cl)c1C
InChIInChI=1S/C11H14ClN/c1-9-10(6-4-8-13-2)5-3-7-11(9)12/h3-7,13H,8H2,1-2H3
InChIKeyQJVCXABCUXQLKV-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.88
Rot. Bonds3

About 3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine

3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine (PubChem CID 169473159) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
PubChem CID169473159
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cccc(Cl)c1C
InChIInChI=1S/C11H14ClN/c1-9-10(6-4-8-13-2)5-3-7-11(9)12/h3-7,13H,8H2,1-2H3
InChIKeyQJVCXABCUXQLKV-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
1-but-1-enyl-3-chloro-2-methylbenzene
CID 143069251
2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile
CID 169473633
3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473484
N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169474051
1-chloro-3-[(E)-2-methoxyethenyl]-2-methylbenzene
CID 167713006
N-methyl-3-(2-phenylphenyl)prop-2-en-1-amine
CID 169474332
(E)-3-(3-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 114489355
3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473168
2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473296
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114867476

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine (CID 169473159) is 3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine is CNCC=Cc1cccc(Cl)c1C.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is QJVCXABCUXQLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-9-10(6-4-8-13-2)5-3-7-11(9)12/h3-7,13H,8H2,1-2H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine?
3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 195.69 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169473159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).