N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine

C16H18BrFN2 — CID 106646023

IUPACN-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1C)c1cccc(Br)c1F
InChIInChI=1S/C16H18BrFN2/c1-3-8-20-16(12-7-9-19-10-11(12)2)13-5-4-6-14(17)15(13)18/h4-7,9-10,16,20H,3,8H2,1-2H3
InChIKeyGEVUYZKRDZGNPT-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.38
Rot. Bonds5

About N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine

N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 106646023) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID106646023
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC NameN-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1C)c1cccc(Br)c1F
InChIInChI=1S/C16H18BrFN2/c1-3-8-20-16(12-7-9-19-10-11(12)2)13-5-4-6-14(17)15(13)18/h4-7,9-10,16,20H,3,8H2,1-2H3
InChIKeyGEVUYZKRDZGNPT-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-2-fluorophenyl)-(3-methyl-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-[(3-bromo-2-fluorophenyl)-(2-bromophenyl)methyl]propan-1-amine
CID 106645447
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106645482
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114887468
N-[(2-bromophenyl)-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107513248
N-[(3-bromo-2-fluorophenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 106648080
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106645887
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065627
N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 106645278
N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094789
N-[(4-bromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105010839

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine (CID 106646023) is N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccncc1C)c1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is GEVUYZKRDZGNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-3-8-20-16(12-7-9-19-10-11(12)2)13-5-4-6-14(17)15(13)18/h4-7,9-10,16,20H,3,8H2,1-2H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine?
N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 337.24 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106646023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).