1-(5-fluoro-2-methylphenyl)nonan-2-amine

C16H26FN — CID 105377125

IUPAC1-(5-fluoro-2-methylphenyl)nonan-2-amine
SMILESCCCCCCCC(N)Cc1cc(F)ccc1C
InChIInChI=1S/C16H26FN/c1-3-4-5-6-7-8-16(18)12-14-11-15(17)10-9-13(14)2/h9-11,16H,3-8,12,18H2,1-2H3
InChIKeyHGDGOYBBAKOWHA-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.36
Rot. Bonds8

About 1-(5-fluoro-2-methylphenyl)nonan-2-amine

1-(5-fluoro-2-methylphenyl)nonan-2-amine (PubChem CID 105377125) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)nonan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)nonan-2-amine
PubChem CID105377125
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(5-fluoro-2-methylphenyl)nonan-2-amine
SMILESCCCCCCCC(N)Cc1cc(F)ccc1C
InChIInChI=1S/C16H26FN/c1-3-4-5-6-7-8-16(18)12-14-11-15(17)10-9-13(14)2/h9-11,16H,3-8,12,18H2,1-2H3
InChIKeyHGDGOYBBAKOWHA-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.36
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-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine
CID 105370909
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)nonan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)nonan-2-amine (CID 105377125) is 1-(5-fluoro-2-methylphenyl)nonan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)nonan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)nonan-2-amine is CCCCCCCC(N)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)nonan-2-amine?
The InChIKey is HGDGOYBBAKOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-3-4-5-6-7-8-16(18)12-14-11-15(17)10-9-13(14)2/h9-11,16H,3-8,12,18H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)nonan-2-amine?
1-(5-fluoro-2-methylphenyl)nonan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)nonan-2-amine is sourced from PubChem (CID 105377125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).