N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine

C16H18ClFN2 — CID 105038130

IUPACN-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1C)c1ccncc1F
InChIInChI=1S/C16H18ClFN2/c1-3-7-20-16(13-6-8-19-10-15(13)18)14-9-12(17)5-4-11(14)2/h4-6,8-10,16,20H,3,7H2,1-2H3
InChIKeyJBYSXWMORDLFKF-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.27
Rot. Bonds5

About N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine

N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine (PubChem CID 105038130) has the molecular formula C16H18ClFN2 and a molecular weight of 292.78 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
PubChem CID105038130
Molecular FormulaC16H18ClFN2
Molecular Weight292.78 g/mol
Exact Mass292.11
IUPAC NameN-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1C)c1ccncc1F
InChIInChI=1S/C16H18ClFN2/c1-3-7-20-16(13-6-8-19-10-15(13)18)14-9-12(17)5-4-11(14)2/h4-6,8-10,16,20H,3,7H2,1-2H3
InChIKeyJBYSXWMORDLFKF-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)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-[(4-chloro-2-fluorophenyl)-(5-chloro-2-methylphenyl)methyl]propan-1-amine
CID 105022481
N-[(4-chloro-2-fluorophenyl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105173716
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(2-bromo-4-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038165
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327
N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006297
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038416
N-[(3-chloro-4-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 105175887
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095
N-[(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878610

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine (CID 105038130) is N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1cc(Cl)ccc1C)c1ccncc1F.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is JBYSXWMORDLFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-7-20-16(13-6-8-19-10-15(13)18)14-9-12(17)5-4-11(14)2/h4-6,8-10,16,20H,3,7H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 292.78 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105038130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).