1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C15H23F3N2O — CID 64758010

IUPAC1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(Cc1ccco1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H23F3N2O/c1-2-20(10-13-6-4-8-21-13)14(11-19)7-3-5-12(9-14)15(16,17)18/h4,6,8,12H,2-3,5,7,9-11,19H2,1H3
InChIKeySQSVTWPDBFZBDR-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.55
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758010) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758010
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(Cc1ccco1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H23F3N2O/c1-2-20(10-13-6-4-8-21-13)14(11-19)7-3-5-12(9-14)15(16,17)18/h4,6,8,12H,2-3,5,7,9-11,19H2,1H3
InChIKeySQSVTWPDBFZBDR-UHFFFAOYSA-N
XLogP3.55
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746
1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65088021
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999043
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853318
1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63487026
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106663030
3-(aminomethyl)-1-cyclopropyl-N-(furan-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 55140051
1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine
CID 63485979
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65078163
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759244

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758010) is 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is CCN(Cc1ccco1)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SQSVTWPDBFZBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-2-20(10-13-6-4-8-21-13)14(11-19)7-3-5-12(9-14)15(16,17)18/h4,6,8,12H,2-3,5,7,9-11,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 304.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).