N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine

C17H19ClFNO — CID 43562123

IUPACN-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H19ClFNO/c1-3-9-20-17(12-5-4-6-13(19)10-12)15-8-7-14(21-2)11-16(15)18/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeyJJABQBZSWWWMNY-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.58
Rot. Bonds6

About N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine

N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 43562123) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
PubChem CID43562123
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H19ClFNO/c1-3-9-20-17(12-5-4-6-13(19)10-12)15-8-7-14(21-2)11-16(15)18/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeyJJABQBZSWWWMNY-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-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

N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
N-[(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791844
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785590
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092648
N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 107991862

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine (CID 43562123) is N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1ccc(OC)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is JJABQBZSWWWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-9-20-17(12-5-4-6-13(19)10-12)15-8-7-14(21-2)11-16(15)18/h4-8,10-11,17,20H,3,9H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 307.80 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43562123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).