1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine

C17H28FN — CID 105377481

IUPAC1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
SMILESCCCCCC(Cc1cc(F)ccc1C)NCCC
InChIInChI=1S/C17H28FN/c1-4-6-7-8-17(19-11-5-2)13-15-12-16(18)10-9-14(15)3/h9-10,12,17,19H,4-8,11,13H2,1-3H3
InChIKeyXOTCHHVWFYUZPQ-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.63
Rot. Bonds9

About 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine

1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine (PubChem CID 105377481) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
PubChem CID105377481
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
SMILESCCCCCC(Cc1cc(F)ccc1C)NCCC
InChIInChI=1S/C17H28FN/c1-4-6-7-8-17(19-11-5-2)13-15-12-16(18)10-9-14(15)3/h9-10,12,17,19H,4-8,11,13H2,1-3H3
InChIKeyXOTCHHVWFYUZPQ-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-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

N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
1-(2-bromo-4-fluorophenyl)-N-propylheptan-2-amine
CID 115843240
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 105374110
1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
CID 105375522
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105373823
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine (CID 105377481) is 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine is CCCCCC(Cc1cc(F)ccc1C)NCCC.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine?
The InChIKey is XOTCHHVWFYUZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-4-6-7-8-17(19-11-5-2)13-15-12-16(18)10-9-14(15)3/h9-10,12,17,19H,4-8,11,13H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine?
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine is sourced from PubChem (CID 105377481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).