1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine

C11H14ClNO — CID 105000664

IUPAC1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H14ClNO/c1-4-10(13-2)9-6-5-8(12)7-11(9)14-3/h4-7,10,13H,1H2,2-3H3
InChIKeyVXKCSHSKZQPGNO-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine

1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine (PubChem CID 105000664) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine
PubChem CID105000664
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H14ClNO/c1-4-10(13-2)9-6-5-8(12)7-11(9)14-3/h4-7,10,13H,1H2,2-3H3
InChIKeyVXKCSHSKZQPGNO-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 114978300
1-(5-chloro-2-methoxyphenyl)prop-2-enylhydrazine
CID 105318028
1-(2-fluoro-4-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 81305455
1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013762
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(5-chloro-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 105000957
1-(4-chloro-2-methoxyphenyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 105004549
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061
1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513966
N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105001000
1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005589

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine (CID 105000664) is 1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine is C=CC(NC)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is VXKCSHSKZQPGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-4-10(13-2)9-6-5-8(12)7-11(9)14-3/h4-7,10,13H,1H2,2-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine?
1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 105000664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).