N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C16H20F3NO — CID 64757393

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCC2Cc3ccccc3O2)C1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)12-5-3-6-13(9-12)20-10-14-8-11-4-1-2-7-15(11)21-14/h1-2,4,7,12-14,20H,3,5-6,8-10H2
InChIKeySTNVIWWBDQUOHA-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.70
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757393) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757393
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCC2Cc3ccccc3O2)C1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)12-5-3-6-13(9-12)20-10-14-8-11-4-1-2-7-15(11)21-14/h1-2,4,7,12-14,20H,3,5-6,8-10H2
InChIKeySTNVIWWBDQUOHA-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462285
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine
CID 65073328
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 66348971
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82722611
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747402

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757393) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCC2Cc3ccccc3O2)C1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is STNVIWWBDQUOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c17-16(18,19)12-5-3-6-13(9-12)20-10-14-8-11-4-1-2-7-15(11)21-14/h1-2,4,7,12-14,20H,3,5-6,8-10H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 299.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).