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

C11H14ClNO — CID 105005589

IUPAC1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H14ClNO/c1-7(2)11(13)9-5-4-8(12)6-10(9)14-3/h4-6,11H,1,13H2,2-3H3
InChIKeyFHRCRBQKRAUXET-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.92
Rot. Bonds3

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

1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine (PubChem CID 105005589) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine
PubChem CID105005589
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H14ClNO/c1-7(2)11(13)9-5-4-8(12)6-10(9)14-3/h4-6,11H,1,13H2,2-3H3
InChIKeyFHRCRBQKRAUXET-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.92
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-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005449
1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine
CID 79180085
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
1-(4-chloro-2-methoxyphenyl)-2-methoxyethanamine
CID 112693324
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
(4-chloro-2-methoxyphenyl)-(3,5-difluorophenyl)methanamine
CID 115851745
1-(5-chloro-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005229
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine (CID 105005589) is 1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine is C=C(C)C(N)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine?
The InChIKey is FHRCRBQKRAUXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7(2)11(13)9-5-4-8(12)6-10(9)14-3/h4-6,11H,1,13H2,2-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine?
1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.92, 3 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)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105005589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).