1-[2-(trifluoromethyl)phenyl]decan-1-amine

C17H26F3N — CID 115831210

IUPAC1-[2-(trifluoromethyl)phenyl]decan-1-amine
SMILESCCCCCCCCCC(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-13-16(21)14-11-9-10-12-15(14)17(18,19)20/h9-12,16H,2-8,13,21H2,1H3
InChIKeyBYEMXPUCWYIEKV-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.85
Rot. Bonds9

About 1-[2-(trifluoromethyl)phenyl]decan-1-amine

1-[2-(trifluoromethyl)phenyl]decan-1-amine (PubChem CID 115831210) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]decan-1-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]decan-1-amine
PubChem CID115831210
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name1-[2-(trifluoromethyl)phenyl]decan-1-amine
SMILESCCCCCCCCCC(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-13-16(21)14-11-9-10-12-15(14)17(18,19)20/h9-12,16H,2-8,13,21H2,1H3
InChIKeyBYEMXPUCWYIEKV-UHFFFAOYSA-N
XLogP5.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.85
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-[2-(trifluoromethyl)phenyl]nonan-1-ol
CID 65148219
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-1-amine
CID 171227373
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171227374
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
2-pentylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107763171
1-[4-bromo-2-(trifluoromethyl)phenyl]hexan-1-amine
CID 55187013
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
2-[2-(trifluoromethyl)phenyl]heptane-1,3-diamine
CID 20848457
1-(2-bromophenyl)hexan-1-amine
CID 62604682
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]decan-1-amine?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]decan-1-amine (CID 115831210) is 1-[2-(trifluoromethyl)phenyl]decan-1-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]decan-1-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]decan-1-amine is CCCCCCCCCC(N)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]decan-1-amine?
The InChIKey is BYEMXPUCWYIEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-13-16(21)14-11-9-10-12-15(14)17(18,19)20/h9-12,16H,2-8,13,21H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]decan-1-amine?
1-[2-(trifluoromethyl)phenyl]decan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]decan-1-amine is sourced from PubChem (CID 115831210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).