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

C14H22FN — CID 62600868

IUPAC1-(4-fluorophenyl)octan-2-amine
SMILESCCCCCCC(N)Cc1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-2-3-4-5-6-14(16)11-12-7-9-13(15)10-8-12/h7-10,14H,2-6,11,16H2,1H3
InChIKeyDJAZSEMOCMXZRS-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.67
Rot. Bonds7

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

1-(4-fluorophenyl)octan-2-amine (PubChem CID 62600868) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)octan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)octan-2-amine
PubChem CID62600868
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name1-(4-fluorophenyl)octan-2-amine
SMILESCCCCCCC(N)Cc1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-2-3-4-5-6-14(16)11-12-7-9-13(15)10-8-12/h7-10,14H,2-6,11,16H2,1H3
InChIKeyDJAZSEMOCMXZRS-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.67
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-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
4-(2-aminooctyl)phenol
CID 69403996
1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
1-(2-chlorodecyl)-4-fluorobenzene
CID 65428544
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-[2-(chloromethyl)octyl]-4-fluorobenzene
CID 66034373
1-(4-propylphenyl)hexan-2-amine
CID 82255234
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)octan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)octan-2-amine (CID 62600868) is 1-(4-fluorophenyl)octan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)octan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)octan-2-amine is CCCCCCC(N)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)octan-2-amine?
The InChIKey is DJAZSEMOCMXZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-2-3-4-5-6-14(16)11-12-7-9-13(15)10-8-12/h7-10,14H,2-6,11,16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)octan-2-amine?
1-(4-fluorophenyl)octan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)octan-2-amine is sourced from PubChem (CID 62600868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).