N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine

C16H22F3N — CID 63455762

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
SMILESCc1ccc(NC2CCCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-12-9-10-14(11-15(12)16(17,18)19)20-13-7-5-3-2-4-6-8-13/h9-11,13,20H,2-8H2,1H3
InChIKeyKPGVYFAICCBRSQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.54
Rot. Bonds2

About N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine

N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine (PubChem CID 63455762) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
PubChem CID63455762
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
SMILESCc1ccc(NC2CCCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-12-9-10-14(11-15(12)16(17,18)19)20-13-7-5-3-2-4-6-8-13/h9-11,13,20H,2-8H2,1H3
InChIKeyKPGVYFAICCBRSQ-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)phenyl]oxepan-4-amine
CID 65081917
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
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4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455931
N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455763
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741
N-[4-methyl-3-(trifluoromethyl)phenyl]-1,1-dioxothian-3-amine
CID 63924016
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
CID 62711963
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
N-[4-[(2S)-5-azabicyclo[2.1.0]pentan-2-yl]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline
CID 143820492
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376615
5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide
CID 43717499

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine (CID 63455762) is N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine is Cc1ccc(NC2CCCCCCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine?
The InChIKey is KPGVYFAICCBRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-12-9-10-14(11-15(12)16(17,18)19)20-13-7-5-3-2-4-6-8-13/h9-11,13,20H,2-8H2,1H3.
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine?
N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine has a molecular weight of 285.35 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine is sourced from PubChem (CID 63455762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).