2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine

C15H24FN — CID 79439065

IUPAC2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine
SMILESCNCC(CCC(C)(C)C)c1ccccc1F
InChIInChI=1S/C15H24FN/c1-15(2,3)10-9-12(11-17-4)13-7-5-6-8-14(13)16/h5-8,12,17H,9-11H2,1-4H3
InChIKeyFRUZZPJZEPNGRG-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.95
Rot. Bonds5

About 2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine

2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine (PubChem CID 79439065) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine
PubChem CID79439065
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine
SMILESCNCC(CCC(C)(C)C)c1ccccc1F
InChIInChI=1S/C15H24FN/c1-15(2,3)10-9-12(11-17-4)13-7-5-6-8-14(13)16/h5-8,12,17H,9-11H2,1-4H3
InChIKeyFRUZZPJZEPNGRG-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-fluorophenyl)-N,5,5-trimethylhexan-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-(2-fluorophenyl)-N-methyldodecan-1-amine
CID 79435505
2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79439067
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 62107488
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531
3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 81016538
N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine
CID 79417284
(2R)-2-(2-fluorophenyl)-2-methoxy-N-methylethanamine
CID 94355994
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439309
2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
CID 106667015

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine (CID 79439065) is 2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine is CNCC(CCC(C)(C)C)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine?
The InChIKey is FRUZZPJZEPNGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-15(2,3)10-9-12(11-17-4)13-7-5-6-8-14(13)16/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine?
2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 79439065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).