1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine

C16H26FN — CID 63413658

IUPAC1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1ccc(C)c(F)c1
InChIInChI=1S/C16H26FN/c1-4-6-7-8-16(18-11-5-2)14-10-9-13(3)15(17)12-14/h9-10,12,16,18H,4-8,11H2,1-3H3
InChIKeyZYVUCEBSSMYBNB-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.76
Rot. Bonds8

About 1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine

1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine (PubChem CID 63413658) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
PubChem CID63413658
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1ccc(C)c(F)c1
InChIInChI=1S/C16H26FN/c1-4-6-7-8-16(18-11-5-2)14-10-9-13(3)15(17)12-14/h9-10,12,16,18H,4-8,11H2,1-3H3
InChIKeyZYVUCEBSSMYBNB-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'}

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 107129130
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 107130013
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
CID 63416508
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 107130389
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine (CID 63413658) is 1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine is CCCCCC(NCCC)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine?
The InChIKey is ZYVUCEBSSMYBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-6-7-8-16(18-11-5-2)14-10-9-13(3)15(17)12-14/h9-10,12,16,18H,4-8,11H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine?
1-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine is sourced from PubChem (CID 63413658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).