(Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine

C12H16ClN — CID 106437509

IUPAC(Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine
SMILESC/C(=C/Cl)CNCc1cccc(C)c1
InChIInChI=1S/C12H16ClN/c1-10-4-3-5-12(6-10)9-14-8-11(2)7-13/h3-7,14H,8-9H2,1-2H3/b11-7-
InChIKeyJZWZYKNOLAFEGF-XFFZJAGNSA-N
MW209.72 g/mol
LogP3.23
Rot. Bonds4

About (Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine

(Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine (PubChem CID 106437509) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine
PubChem CID106437509
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine
SMILESC/C(=C/Cl)CNCc1cccc(C)c1
InChIInChI=1S/C12H16ClN/c1-10-4-3-5-12(6-10)9-14-8-11(2)7-13/h3-7,14H,8-9H2,1-2H3/b11-7-
InChIKeyJZWZYKNOLAFEGF-XFFZJAGNSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-chloro-2-methyl-N-[2-(3-methylphenyl)ethyl]prop-2-en-1-amine
CID 106437692
[4-[[[(Z)-3-chloro-2-methylprop-2-enyl]amino]methyl]phenyl]methanol
CID 106438185
N-methyl-2-[(3-methylphenyl)methylamino]acetamide
CID 43214398
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
(Z)-2-methyl-4-[(3-methylphenyl)methylamino]but-2-enoic acid
CID 103239916
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde
CID 143498965
N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 60902471

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine (CID 106437509) is (Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine is C/C(=C/Cl)CNCc1cccc(C)c1.
What is the InChIKey of (Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is JZWZYKNOLAFEGF-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H16ClN/c1-10-4-3-5-12(6-10)9-14-8-11(2)7-13/h3-7,14H,8-9H2,1-2H3/b11-7-.
What are the key properties of (Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine?
(Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 106437509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).