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

C17H20FN — CID 79417911

IUPAC3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C17H20FN/c1-13-4-3-5-15(10-13)16(12-19-2)11-14-6-8-17(18)9-7-14/h3-10,16,19H,11-12H2,1-2H3
InChIKeyBKHYIKPUMILHKE-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.68
Rot. Bonds5

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

3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine (PubChem CID 79417911) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
PubChem CID79417911
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C17H20FN/c1-13-4-3-5-15(10-13)16(12-19-2)11-14-6-8-17(18)9-7-14/h3-10,16,19H,11-12H2,1-2H3
InChIKeyBKHYIKPUMILHKE-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
3-(2-chloro-4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416930
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
N-methyl-2-(3-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323720
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine (CID 79417911) is 3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine is CNCC(Cc1ccc(F)cc1)c1cccc(C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
The InChIKey is BKHYIKPUMILHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-4-3-5-15(10-13)16(12-19-2)11-14-6-8-17(18)9-7-14/h3-10,16,19H,11-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79417911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).