N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine

C19H29NO — CID 64743242

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc3c(c2)CC(C)(C)O3)CC1C
InChIInChI=1S/C19H29NO/c1-13-5-7-17(9-14(13)2)20-12-15-6-8-18-16(10-15)11-19(3,4)21-18/h6,8,10,13-14,17,20H,5,7,9,11-12H2,1-4H3
InChIKeyQCWIFDHOELMBPO-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.31
Rot. Bonds3

About N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 64743242) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID64743242
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc3c(c2)CC(C)(C)O3)CC1C
InChIInChI=1S/C19H29NO/c1-13-5-7-17(9-14(13)2)20-12-15-6-8-18-16(10-15)11-19(3,4)21-18/h6,8,10,13-14,17,20H,5,7,9,11-12H2,1-4H3
InChIKeyQCWIFDHOELMBPO-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine
CID 80717280
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104587767
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-ethylpiperidin-4-amine
CID 63271340
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65306067
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 63270711
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 119127897
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 119121844
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 64738706
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
1-[(3R,4S)-4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093546

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 64743242) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(NCc2ccc3c(c2)CC(C)(C)O3)CC1C.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is QCWIFDHOELMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13-5-7-17(9-14(13)2)20-12-15-6-8-18-16(10-15)11-19(3,4)21-18/h6,8,10,13-14,17,20H,5,7,9,11-12H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64743242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).