5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine

C12H16F3N — CID 82534567

IUPAC5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine
SMILESCc1ccc(C(CCN)CC(F)(F)F)cc1
InChIInChI=1S/C12H16F3N/c1-9-2-4-10(5-3-9)11(6-7-16)8-12(13,14)15/h2-5,11H,6-8,16H2,1H3
InChIKeyKKOREQODEOHIMV-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.38
Rot. Bonds4

About 5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine

5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine (PubChem CID 82534567) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine
PubChem CID82534567
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine
SMILESCc1ccc(C(CCN)CC(F)(F)F)cc1
InChIInChI=1S/C12H16F3N/c1-9-2-4-10(5-3-9)11(6-7-16)8-12(13,14)15/h2-5,11H,6-8,16H2,1H3
InChIKeyKKOREQODEOHIMV-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine
CID 82534562
3-(3,4-dimethoxyphenyl)-5,5,5-trifluoropentan-1-amine
CID 82534545
4-(4-methylphenyl)hexan-1-amine
CID 83930823
(2R)-4,4,4-trifluoro-2-(4-methylphenyl)butanenitrile
CID 125492404
3-(4-fluorophenyl)pentan-1-amine
CID 15014572
4,4,4-trifluoro-3-(4-methylphenyl)sulfanylbutan-1-amine
CID 43753407
2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanol
CID 112575230
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
1-fluoro-4-methylbenzene;3-methylbutan-1-amine
CID 178163375
N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
CID 129412239
5,5,5-trifluoro-3-methyl-2-(4-methylphenyl)pentanoic acid
CID 58136361
4-amino-2-(4-fluorophenyl)butan-1-ol
CID 115016455

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine (CID 82534567) is 5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine is Cc1ccc(C(CCN)CC(F)(F)F)cc1.
What is the InChIKey of 5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine?
The InChIKey is KKOREQODEOHIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-9-2-4-10(5-3-9)11(6-7-16)8-12(13,14)15/h2-5,11H,6-8,16H2,1H3.
What are the key properties of 5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine?
5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine has a molecular weight of 231.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine is sourced from PubChem (CID 82534567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).