N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine

C19H27NO — CID 114735873

IUPACN-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)(C)CC1c1cc2ccccc2o1
InChIInChI=1S/C19H27NO/c1-4-20-13-15-9-10-19(2,3)12-16(15)18-11-14-7-5-6-8-17(14)21-18/h5-8,11,15-16,20H,4,9-10,12-13H2,1-3H3
InChIKeyTWUGAIBNZSRDLP-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.95
Rot. Bonds4

About N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine

N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine (PubChem CID 114735873) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine
PubChem CID114735873
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)(C)CC1c1cc2ccccc2o1
InChIInChI=1S/C19H27NO/c1-4-20-13-15-9-10-19(2,3)12-16(15)18-11-14-7-5-6-8-17(14)21-18/h5-8,11,15-16,20H,4,9-10,12-13H2,1-3H3
InChIKeyTWUGAIBNZSRDLP-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847
N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114735863
N-[[2-(3,5-difluorophenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81030132
N-[[2-(3,4-difluorophenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81030415
N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81022966
1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine
CID 81021877
1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine
CID 114735864
N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 114735736
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
CID 114733615
N-[[2-(3-chlorophenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030568
2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
CID 114732944

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine (CID 114735873) is N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)(C)CC1c1cc2ccccc2o1.
What is the InChIKey of N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine?
The InChIKey is TWUGAIBNZSRDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-20-13-15-9-10-19(2,3)12-16(15)18-11-14-7-5-6-8-17(14)21-18/h5-8,11,15-16,20H,4,9-10,12-13H2,1-3H3.
What are the key properties of N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine?
N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 114735873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).