2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine

C17H28FN — CID 79440359

IUPAC2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(C)CC(CNCC(C)C)c1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-5-14(4)9-16(12-19-11-13(2)3)15-7-6-8-17(18)10-15/h6-8,10,13-14,16,19H,5,9,11-12H2,1-4H3
InChIKeyUALDUWHVPYVAPZ-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.59
Rot. Bonds8

About 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine

2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 79440359) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID79440359
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(C)CC(CNCC(C)C)c1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-5-14(4)9-16(12-19-11-13(2)3)15-7-6-8-17(18)10-15/h6-8,10,13-14,16,19H,5,9,11-12H2,1-4H3
InChIKeyUALDUWHVPYVAPZ-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-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

4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66243831
2-(3-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79441196
N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79440289
N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79432215
2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 79442641
2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 79440674
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 43094653

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine (CID 79440359) is 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine is CCC(C)CC(CNCC(C)C)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is UALDUWHVPYVAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-5-14(4)9-16(12-19-11-13(2)3)15-7-6-8-17(18)10-15/h6-8,10,13-14,16,19H,5,9,11-12H2,1-4H3.
What are the key properties of 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine?
2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 79440359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).