1-(3,4,5-trifluorophenyl)nonan-1-amine

C15H22F3N — CID 63417456

IUPAC1-(3,4,5-trifluorophenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H22F3N/c1-2-3-4-5-6-7-8-14(19)11-9-12(16)15(18)13(17)10-11/h9-10,14H,2-8,19H2,1H3
InChIKeyAJGUDOCOBCAHAH-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.85
Rot. Bonds8

About 1-(3,4,5-trifluorophenyl)nonan-1-amine

1-(3,4,5-trifluorophenyl)nonan-1-amine (PubChem CID 63417456) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3,4,5-trifluorophenyl)nonan-1-amine.

Molecular Properties

Compound Name1-(3,4,5-trifluorophenyl)nonan-1-amine
PubChem CID63417456
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name1-(3,4,5-trifluorophenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H22F3N/c1-2-3-4-5-6-7-8-14(19)11-9-12(16)15(18)13(17)10-11/h9-10,14H,2-8,19H2,1H3
InChIKeyAJGUDOCOBCAHAH-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3,4,5-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171205823
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
(1S)-1-(3,4,5-trifluorophenyl)butane-1,4-diamine;hydrochloride
CID 171225390
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857
(1S)-4-methyl-1-(3,4,5-trifluorophenyl)pentan-1-amine
CID 171225417
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
1-(3-bromo-5-fluorophenyl)octan-1-amine
CID 66423474
1-(2,3,4,5,6-pentafluorophenyl)heptan-1-amine
CID 115833229
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 124707183

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trifluorophenyl)nonan-1-amine?
The IUPAC name of 1-(3,4,5-trifluorophenyl)nonan-1-amine (CID 63417456) is 1-(3,4,5-trifluorophenyl)nonan-1-amine.
What is the SMILES notation for 1-(3,4,5-trifluorophenyl)nonan-1-amine?
The canonical SMILES for 1-(3,4,5-trifluorophenyl)nonan-1-amine is CCCCCCCCC(N)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-(3,4,5-trifluorophenyl)nonan-1-amine?
The InChIKey is AJGUDOCOBCAHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-2-3-4-5-6-7-8-14(19)11-9-12(16)15(18)13(17)10-11/h9-10,14H,2-8,19H2,1H3.
What are the key properties of 1-(3,4,5-trifluorophenyl)nonan-1-amine?
1-(3,4,5-trifluorophenyl)nonan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trifluorophenyl)nonan-1-amine is sourced from PubChem (CID 63417456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).