2-(4-fluorophenyl)heptan-1-amine

C13H20FN — CID 79442393

IUPAC2-(4-fluorophenyl)heptan-1-amine
SMILESCCCCCC(CN)c1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-2-3-4-5-12(10-15)11-6-8-13(14)9-7-11/h6-9,12H,2-5,10,15H2,1H3
InChIKeyXMUSPXBOZBGEBF-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-fluorophenyl)heptan-1-amine

2-(4-fluorophenyl)heptan-1-amine (PubChem CID 79442393) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)heptan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)heptan-1-amine
PubChem CID79442393
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-(4-fluorophenyl)heptan-1-amine
SMILESCCCCCC(CN)c1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-2-3-4-5-12(10-15)11-6-8-13(14)9-7-11/h6-9,12H,2-5,10,15H2,1H3
InChIKeyXMUSPXBOZBGEBF-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.45
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

2-(4-fluorophenyl)hexan-1-amine
CID 79442321
2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83169540
1-(1-chlorododecan-2-yl)-4-fluorobenzene
CID 79437415
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
2-phenylundecan-1-amine
CID 57256894
1-fluoro-4-octan-4-ylbenzene
CID 70993007
1-(1-bromohexan-2-yl)-4-fluorobenzene
CID 79435039
2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
CID 82077975
1-(1-bromohexyl)-4-fluorobenzene
CID 63439344
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
2-(4-phenylphenyl)hexan-1-amine
CID 121467477
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)heptan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)heptan-1-amine (CID 79442393) is 2-(4-fluorophenyl)heptan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)heptan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)heptan-1-amine is CCCCCC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)heptan-1-amine?
The InChIKey is XMUSPXBOZBGEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-2-3-4-5-12(10-15)11-6-8-13(14)9-7-11/h6-9,12H,2-5,10,15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)heptan-1-amine?
2-(4-fluorophenyl)heptan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)heptan-1-amine is sourced from PubChem (CID 79442393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).