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

C14H21F3N2O — CID 64758012

IUPAC1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(Cc1ccoc1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c1-19(8-11-4-6-20-9-11)13(10-18)5-2-3-12(7-13)14(15,16)17/h4,6,9,12H,2-3,5,7-8,10,18H2,1H3
InChIKeyVCHRPMJUHMTPFO-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.16
Rot. Bonds4

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

1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758012) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758012
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(Cc1ccoc1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c1-19(8-11-4-6-20-9-11)13(10-18)5-2-3-12(7-13)14(15,16)17/h4,6,9,12H,2-3,5,7-8,10,18H2,1H3
InChIKeyVCHRPMJUHMTPFO-UHFFFAOYSA-N
XLogP3.16
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758012) is 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine is CN(Cc1ccoc1)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VCHRPMJUHMTPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-19(8-11-4-6-20-9-11)13(10-18)5-2-3-12(7-13)14(15,16)17/h4,6,9,12H,2-3,5,7-8,10,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 290.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).