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

C17H20ClFN2 — CID 106866904

IUPACN-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1Cl)c1ccncc1F
InChIInChI=1S/C17H20ClFN2/c1-3-7-21-17(14-6-8-20-11-16(14)19)10-13-5-4-12(2)9-15(13)18/h4-6,8-9,11,17,21H,3,7,10H2,1-2H3
InChIKeyPHDHTLVRMCHBHE-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.47
Rot. Bonds6

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

N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine (PubChem CID 106866904) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
PubChem CID106866904
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC NameN-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1Cl)c1ccncc1F
InChIInChI=1S/C17H20ClFN2/c1-3-7-21-17(14-6-8-20-11-16(14)19)10-13-5-4-12(2)9-15(13)18/h4-6,8-9,11,17,21H,3,7,10H2,1-2H3
InChIKeyPHDHTLVRMCHBHE-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]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-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 102619227
N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 106866272
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
N-[2-(2-chloro-4-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 106866577
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
[2-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105258636
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
N-[(2-bromo-4-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038165
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
N-[1-(3-fluoro-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105181891
N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738270

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine (CID 106866904) is N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cc1Cl)c1ccncc1F.
What is the InChIKey of N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
The InChIKey is PHDHTLVRMCHBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-3-7-21-17(14-6-8-20-11-16(14)19)10-13-5-4-12(2)9-15(13)18/h4-6,8-9,11,17,21H,3,7,10H2,1-2H3.
What are the key properties of N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine has a molecular weight of 306.81 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 106866904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).