N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine

C17H20F2N2 — CID 107513360

IUPACN-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccn1)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H20F2N2/c1-4-8-21-17(14-10-11(2)7-9-20-14)13-6-5-12(3)15(18)16(13)19/h5-7,9-10,17,21H,4,8H2,1-3H3
InChIKeyHTEKOVDVFVLNOO-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.07
Rot. Bonds5

About N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine

N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 107513360) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID107513360
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccn1)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H20F2N2/c1-4-8-21-17(14-10-11(2)7-9-20-14)13-6-5-12(3)15(18)16(13)19/h5-7,9-10,17,21H,4,8H2,1-3H3
InChIKeyHTEKOVDVFVLNOO-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-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-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63840403
(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanol
CID 107512882
N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63839602
N-[(2,3-difluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 107513715
N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62965809
N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63840842
N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81482203
N-[(2,3-difluoro-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107515366
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772
N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107515944
N-[(2-bromophenyl)-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107513248
N-[(4-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107513392

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine (CID 107513360) is N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1cc(C)ccn1)c1ccc(C)c(F)c1F.
What is the InChIKey of N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is HTEKOVDVFVLNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-4-8-21-17(14-10-11(2)7-9-20-14)13-6-5-12(3)15(18)16(13)19/h5-7,9-10,17,21H,4,8H2,1-3H3.
What are the key properties of N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 290.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 107513360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).