N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

C18H29NO2 — CID 43788980

IUPACN-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCOC1CCCCC1NC1CC(C)(C)Cc2oc(C)cc21
InChIInChI=1S/C18H29NO2/c1-12-9-13-15(10-18(2,3)11-17(13)21-12)19-14-7-5-6-8-16(14)20-4/h9,14-16,19H,5-8,10-11H2,1-4H3
InChIKeyHXAQAHKVBNDRQM-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.15
Rot. Bonds3

About N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 43788980) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID43788980
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCOC1CCCCC1NC1CC(C)(C)Cc2oc(C)cc21
InChIInChI=1S/C18H29NO2/c1-12-9-13-15(10-18(2,3)11-17(13)21-12)19-14-7-5-6-8-16(14)20-4/h9,14-16,19H,5-8,10-11H2,1-4H3
InChIKeyHXAQAHKVBNDRQM-UHFFFAOYSA-N
XLogP4.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine
CID 55200581
N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
CID 55085991
1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 62977089
2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 51958779
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 64683856
2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 62491984
3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 47047556
N-[(3-bromothiophen-2-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
CID 115380077
N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
CID 63084124
2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 55782492
N-(3,3-dimethylcyclopentyl)-2-methoxycyclohexan-1-amine
CID 104531259
(2R)-2-methylsulfonyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
CID 94004654

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (CID 43788980) is N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is COC1CCCCC1NC1CC(C)(C)Cc2oc(C)cc21.
What is the InChIKey of N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is HXAQAHKVBNDRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-9-13-15(10-18(2,3)11-17(13)21-12)19-14-7-5-6-8-16(14)20-4/h9,14-16,19H,5-8,10-11H2,1-4H3.
What are the key properties of N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 43788980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).