1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine

C16H17ClFNO2 — CID 60955806

IUPAC1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cccc(F)c2)cc(Cl)c1OC
InChIInChI=1S/C16H17ClFNO2/c1-20-15-9-11(8-13(17)16(15)21-2)14(19)7-10-4-3-5-12(18)6-10/h3-6,8-9,14H,7,19H2,1-2H3
InChIKeyQUMIABBETXGVBF-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine

1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine (PubChem CID 60955806) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
PubChem CID60955806
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cccc(F)c2)cc(Cl)c1OC
InChIInChI=1S/C16H17ClFNO2/c1-20-15-9-11(8-13(17)16(15)21-2)14(19)7-10-4-3-5-12(18)6-10/h3-6,8-9,14H,7,19H2,1-2H3
InChIKeyQUMIABBETXGVBF-UHFFFAOYSA-N
XLogP3.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine 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

1-(3-chloro-4,5-dimethoxyphenyl)-2-phenylethanamine
CID 60955928
2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine
CID 79700846
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 43118220
1-(3-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 62601776
(3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine
CID 62542898
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 3052546
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
3-amino-3-(3-chloro-4,5-dimethoxyphenyl)propanoic acid
CID 170872581

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine (CID 60955806) is 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine is COc1cc(C(N)Cc2cccc(F)c2)cc(Cl)c1OC.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is QUMIABBETXGVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-20-15-9-11(8-13(17)16(15)21-2)14(19)7-10-4-3-5-12(18)6-10/h3-6,8-9,14H,7,19H2,1-2H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine?
1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 309.77 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 60955806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).