1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine

C17H20FN — CID 105092929

IUPAC1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNC(CCc1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C17H20FN/c1-13-5-3-6-14(11-13)9-10-17(19-2)15-7-4-8-16(18)12-15/h3-8,11-12,17,19H,9-10H2,1-2H3
InChIKeyRPGVMRRQXKTZKP-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.03
Rot. Bonds5

About 1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine

1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 105092929) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
PubChem CID105092929
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNC(CCc1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C17H20FN/c1-13-5-3-6-14(11-13)9-10-17(19-2)15-7-4-8-16(18)12-15/h3-8,11-12,17,19H,9-10H2,1-2H3
InChIKeyRPGVMRRQXKTZKP-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105143233
N-methyl-1-(3-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105090642
3-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)propan-1-amine
CID 65444758
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105141947
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
5-(3-fluorophenyl)-5-(methylamino)pentan-2-one
CID 116956231
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
3-(3-methoxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 54891056
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine (CID 105092929) is 1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine is CNC(CCc1cccc(C)c1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is RPGVMRRQXKTZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-5-3-6-14(11-13)9-10-17(19-2)15-7-4-8-16(18)12-15/h3-8,11-12,17,19H,9-10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 105092929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).