2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine

C17H28FN — CID 63522096

IUPAC2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
SMILESCCC(C)CC(CNC(C)C)Cc1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-5-14(4)9-16(12-19-13(2)3)10-15-7-6-8-17(18)11-15/h6-8,11,13-14,16,19H,5,9-10,12H2,1-4H3
InChIKeyIFJLBUKPHZPJBD-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.42
Rot. Bonds8

About 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine

2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine (PubChem CID 63522096) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
PubChem CID63522096
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
SMILESCCC(C)CC(CNC(C)C)Cc1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-5-14(4)9-16(12-19-13(2)3)10-15-7-6-8-17(18)11-15/h6-8,11,13-14,16,19H,5,9-10,12H2,1-4H3
InChIKeyIFJLBUKPHZPJBD-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-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

2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
CID 63522112
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
2-[(3-bromophenyl)methyl]-4-methyl-N-propylhexan-1-amine
CID 55195268
1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
CID 139973435
2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 105408036
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine (CID 63522096) is 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine is CCC(C)CC(CNC(C)C)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine?
The InChIKey is IFJLBUKPHZPJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-5-14(4)9-16(12-19-13(2)3)10-15-7-6-8-17(18)11-15/h6-8,11,13-14,16,19H,5,9-10,12H2,1-4H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine?
2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 63522096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).