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

C16H26FN — CID 63416508

IUPAC1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1cc(F)ccc1C
InChIInChI=1S/C16H26FN/c1-4-6-7-8-16(18-11-5-2)15-12-14(17)10-9-13(15)3/h9-10,12,16,18H,4-8,11H2,1-3H3
InChIKeyJNVDORNLLYKQDY-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.76
Rot. Bonds8

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

1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine (PubChem CID 63416508) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
PubChem CID63416508
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1cc(F)ccc1C
InChIInChI=1S/C16H26FN/c1-4-6-7-8-16(18-11-5-2)15-12-14(17)10-9-13(15)3/h9-10,12,16,18H,4-8,11H2,1-3H3
InChIKeyJNVDORNLLYKQDY-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.76
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-propylhexan-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

1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 65128468
N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine
CID 103302863
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
N-propyl-1-(2,4,5-trifluorophenyl)octan-1-amine
CID 103303022
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
1-(5-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142446
1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 114982462
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine
CID 105129790

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine (CID 63416508) is 1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine is CCCCCC(NCCC)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine?
The InChIKey is JNVDORNLLYKQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-6-7-8-16(18-11-5-2)15-12-14(17)10-9-13(15)3/h9-10,12,16,18H,4-8,11H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine?
1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.76, 8 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-propylhexan-1-amine is sourced from PubChem (CID 63416508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).