6-(3-fluorophenyl)hexan-1-amine

C12H18FN — CID 95437731

IUPAC6-(3-fluorophenyl)hexan-1-amine
SMILESNCCCCCCc1cccc(F)c1
InChIInChI=1S/C12H18FN/c13-12-8-5-7-11(10-12)6-3-1-2-4-9-14/h5,7-8,10H,1-4,6,9,14H2
InChIKeyPAPBOBOFCCYRKY-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.89
Rot. Bonds6

About 6-(3-fluorophenyl)hexan-1-amine

6-(3-fluorophenyl)hexan-1-amine (PubChem CID 95437731) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 6-(3-fluorophenyl)hexan-1-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)hexan-1-amine
PubChem CID95437731
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name6-(3-fluorophenyl)hexan-1-amine
SMILESNCCCCCCc1cccc(F)c1
InChIInChI=1S/C12H18FN/c13-12-8-5-7-11(10-12)6-3-1-2-4-9-14/h5,7-8,10H,1-4,6,9,14H2
InChIKeyPAPBOBOFCCYRKY-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.89
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-(3-fluorophenyl)ethanamine;undecan-1-amine
CID 158185766
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
13-phenyltridecan-1-amine
CID 19801439
triethoxy-[5-(3-fluorophenyl)pentyl]silane
CID 90172319
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
4-(3-phenylphenyl)butan-1-amine
CID 117324209
acetylene;1-butyl-3-fluorobenzene
CID 142913636
5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride
CID 139814633
3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide
CID 54944387
6-(3-fluorophenyl)hexyl-methoxy-dimethylsilane
CID 90172578
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
3-(4-aminobutyl)-N,N-diethylaniline
CID 117314931

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)hexan-1-amine?
The IUPAC name of 6-(3-fluorophenyl)hexan-1-amine (CID 95437731) is 6-(3-fluorophenyl)hexan-1-amine.
What is the SMILES notation for 6-(3-fluorophenyl)hexan-1-amine?
The canonical SMILES for 6-(3-fluorophenyl)hexan-1-amine is NCCCCCCc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)hexan-1-amine?
The InChIKey is PAPBOBOFCCYRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c13-12-8-5-7-11(10-12)6-3-1-2-4-9-14/h5,7-8,10H,1-4,6,9,14H2.
What are the key properties of 6-(3-fluorophenyl)hexan-1-amine?
6-(3-fluorophenyl)hexan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)hexan-1-amine is sourced from PubChem (CID 95437731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).