1-(4-fluorophenyl)-N-propylheptan-2-amine

C16H26FN — CID 55187752

IUPAC1-(4-fluorophenyl)-N-propylheptan-2-amine
SMILESCCCCCC(Cc1ccc(F)cc1)NCCC
InChIInChI=1S/C16H26FN/c1-3-5-6-7-16(18-12-4-2)13-14-8-10-15(17)11-9-14/h8-11,16,18H,3-7,12-13H2,1-2H3
InChIKeyUSCPJHJZWNKRBA-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.32
Rot. Bonds9

About 1-(4-fluorophenyl)-N-propylheptan-2-amine

1-(4-fluorophenyl)-N-propylheptan-2-amine (PubChem CID 55187752) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-propylheptan-2-amine
PubChem CID55187752
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(4-fluorophenyl)-N-propylheptan-2-amine
SMILESCCCCCC(Cc1ccc(F)cc1)NCCC
InChIInChI=1S/C16H26FN/c1-3-5-6-7-16(18-12-4-2)13-14-8-10-15(17)11-9-14/h8-11,16,18H,3-7,12-13H2,1-2H3
InChIKeyUSCPJHJZWNKRBA-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.32
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-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 65095900
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(2-bromo-4-fluorophenyl)-N-propylheptan-2-amine
CID 115843240
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-propylheptan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-propylheptan-2-amine (CID 55187752) is 1-(4-fluorophenyl)-N-propylheptan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-propylheptan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-propylheptan-2-amine is CCCCCC(Cc1ccc(F)cc1)NCCC.
What is the InChIKey of 1-(4-fluorophenyl)-N-propylheptan-2-amine?
The InChIKey is USCPJHJZWNKRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-3-5-6-7-16(18-12-4-2)13-14-8-10-15(17)11-9-14/h8-11,16,18H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-propylheptan-2-amine?
1-(4-fluorophenyl)-N-propylheptan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-propylheptan-2-amine is sourced from PubChem (CID 55187752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).