4-chloro-N-methoxy-1-phenylbut-1-en-1-amine

C11H14ClNO — CID 56626015

IUPAC4-chloro-N-methoxy-1-phenylbut-1-en-1-amine
SMILESCONC(=CCCCl)c1ccccc1
InChIInChI=1S/C11H14ClNO/c1-14-13-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-8,13H,5,9H2,1H3
InChIKeyJAZIRDRUEGWTTG-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.81
Rot. Bonds5

About 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine

4-chloro-N-methoxy-1-phenylbut-1-en-1-amine (PubChem CID 56626015) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine.

Molecular Properties

Compound Name4-chloro-N-methoxy-1-phenylbut-1-en-1-amine
PubChem CID56626015
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-chloro-N-methoxy-1-phenylbut-1-en-1-amine
SMILESCONC(=CCCCl)c1ccccc1
InChIInChI=1S/C11H14ClNO/c1-14-13-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-8,13H,5,9H2,1H3
InChIKeyJAZIRDRUEGWTTG-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl(methoxy)amine hydrochloride
CID 71358116
Phenyloxazine
CID 53643691
Amino-phenylpropene
CID 69723665
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
1-(3-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57049882
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
CID 57083862

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine?
The IUPAC name of 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine (CID 56626015) is 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine.
What is the SMILES notation for 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine?
The canonical SMILES for 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine is CONC(=CCCCl)c1ccccc1.
What is the InChIKey of 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine?
The InChIKey is JAZIRDRUEGWTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-13-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-8,13H,5,9H2,1H3.
What are the key properties of 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine?
4-chloro-N-methoxy-1-phenylbut-1-en-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methoxy-1-phenylbut-1-en-1-amine is sourced from PubChem (CID 56626015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).