1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine

C17H19F2N — CID 105143608

IUPAC1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCNC(CCc1ccc(C)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N/c1-12-3-5-13(6-4-12)7-10-17(20-2)15-9-8-14(18)11-16(15)19/h3-6,8-9,11,17,20H,7,10H2,1-2H3
InChIKeyPSANQGUGUUXDPU-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.17
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine

1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 105143608) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
PubChem CID105143608
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCNC(CCc1ccc(C)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N/c1-12-3-5-13(6-4-12)7-10-17(20-2)15-9-8-14(18)11-16(15)19/h3-6,8-9,11,17,20H,7,10H2,1-2H3
InChIKeyPSANQGUGUUXDPU-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105141947
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
N-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105094431
1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417959
[1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propyl]hydrazine
CID 105398187
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105397098

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine (CID 105143608) is 1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine is CNC(CCc1ccc(C)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is PSANQGUGUUXDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12-3-5-13(6-4-12)7-10-17(20-2)15-9-8-14(18)11-16(15)19/h3-6,8-9,11,17,20H,7,10H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105143608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).