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

C12H18FN — CID 79442321

IUPAC2-(4-fluorophenyl)hexan-1-amine
SMILESCCCCC(CN)c1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-2-3-4-11(9-14)10-5-7-12(13)8-6-10/h5-8,11H,2-4,9,14H2,1H3
InChIKeyZHIAKHIHHFKLNI-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.06
Rot. Bonds5

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

2-(4-fluorophenyl)hexan-1-amine (PubChem CID 79442321) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)hexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)hexan-1-amine
PubChem CID79442321
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-(4-fluorophenyl)hexan-1-amine
SMILESCCCCC(CN)c1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-2-3-4-11(9-14)10-5-7-12(13)8-6-10/h5-8,11H,2-4,9,14H2,1H3
InChIKeyZHIAKHIHHFKLNI-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)heptan-1-amine
CID 79442393
1-fluoro-4-octan-4-ylbenzene
CID 70993007
2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83169540
1-(1-bromohexan-2-yl)-4-fluorobenzene
CID 79435039
2-(4-phenylphenyl)hexan-1-amine
CID 121467477
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
CID 82077975
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-(1-chlorododecan-2-yl)-4-fluorobenzene
CID 79437415
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
2-phenylundecan-1-amine
CID 57256894
3-(4-fluorophenyl)pentan-1-amine
CID 15014572

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)hexan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)hexan-1-amine (CID 79442321) is 2-(4-fluorophenyl)hexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)hexan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)hexan-1-amine is CCCCC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)hexan-1-amine?
The InChIKey is ZHIAKHIHHFKLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-2-3-4-11(9-14)10-5-7-12(13)8-6-10/h5-8,11H,2-4,9,14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)hexan-1-amine?
2-(4-fluorophenyl)hexan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)hexan-1-amine is sourced from PubChem (CID 79442321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).