N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline

C16H20F3N — CID 103275963

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCC1=CC(C)CC(CNc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H20F3N/c1-11-6-12(2)8-13(7-11)10-20-15-5-3-4-14(9-15)16(17,18)19/h3-6,9,11,13,20H,7-8,10H2,1-2H3
InChIKeyGTZIESXOFRJHJX-UHFFFAOYSA-N
MW283.34 g/mol
LogP5.11
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 103275963) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline
PubChem CID103275963
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCC1=CC(C)CC(CNc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H20F3N/c1-11-6-12(2)8-13(7-11)10-20-15-5-3-4-14(9-15)16(17,18)19/h3-6,9,11,13,20H,7-8,10H2,1-2H3
InChIKeyGTZIESXOFRJHJX-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.34
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 103276646
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline
CID 103276432
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-nitroaniline
CID 103276362
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 103276314
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indol-5-amine
CID 103276099
N-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]methanesulfonamide
CID 103276401
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine
CID 103277143
2,5-dibromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]aniline
CID 103276449
3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986
4-(difluoromethoxy)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]aniline
CID 103276060
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-propan-2-ylaniline
CID 103275978
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine
CID 103276908

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline (CID 103275963) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline is CC1=CC(C)CC(CNc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is GTZIESXOFRJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c1-11-6-12(2)8-13(7-11)10-20-15-5-3-4-14(9-15)16(17,18)19/h3-6,9,11,13,20H,7-8,10H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 283.34 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 103275963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).