N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine

C16H23NO — CID 64763118

IUPACN-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1CCCC(NC2COc3ccccc32)C1C
InChIInChI=1S/C16H23NO/c1-11-6-5-8-14(12(11)2)17-15-10-18-16-9-4-3-7-13(15)16/h3-4,7,9,11-12,14-15,17H,5-6,8,10H2,1-2H3
InChIKeyDBHWBFJRWMSKDD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.53
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine

N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64763118) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64763118
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1CCCC(NC2COc3ccccc32)C1C
InChIInChI=1S/C16H23NO/c1-11-6-5-8-14(12(11)2)17-15-10-18-16-9-4-3-7-13(15)16/h3-4,7,9,11-12,14-15,17H,5-6,8,10H2,1-2H3
InChIKeyDBHWBFJRWMSKDD-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 104768239
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 115418421
N-(2,3-dimethylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980585
3-[(2-methylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43194977
tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate
CID 113242267
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
CID 79857768
1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea
CID 71990385
trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
CID 104926539
3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 104524355
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine (CID 64763118) is N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine is CC1CCCC(NC2COc3ccccc32)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is DBHWBFJRWMSKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-6-5-8-14(12(11)2)17-15-10-18-16-9-4-3-7-13(15)16/h3-4,7,9,11-12,14-15,17H,5-6,8,10H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine?
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 245.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64763118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).