1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

C19H29NO — CID 107177306

IUPAC1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCNC(c1ccc2c(c1)CC(C)O2)C1CCCCC1(C)C
InChIInChI=1S/C19H29NO/c1-13-11-15-12-14(8-9-17(15)21-13)18(20-4)16-7-5-6-10-19(16,2)3/h8-9,12-13,16,18,20H,5-7,10-11H2,1-4H3
InChIKeyJJGYMKDGSTUCBF-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.49
Rot. Bonds3

About 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 107177306) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID107177306
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCNC(c1ccc2c(c1)CC(C)O2)C1CCCCC1(C)C
InChIInChI=1S/C19H29NO/c1-13-11-15-12-14(8-9-17(15)21-13)18(20-4)16-7-5-6-10-19(16,2)3/h8-9,12-13,16,18,20H,5-7,10-11H2,1-4H3
InChIKeyJJGYMKDGSTUCBF-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine with MolForge

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Related Compounds

1-(1,1-dioxothian-2-yl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 104518545
1-(3,4-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177248
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177185
N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine
CID 55131785
1-(2,2-dimethylcyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 107188518
1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 107189170
2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 114457557
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171
1-(2,2-dimethylcyclopentyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107188705
[2,3-dihydro-1,4-benzodioxin-6-yl-(2,2-dimethylcyclopentyl)methyl]hydrazine
CID 107193749
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 107191342
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 107177306) is 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is CNC(c1ccc2c(c1)CC(C)O2)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is JJGYMKDGSTUCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13-11-15-12-14(8-9-17(15)21-13)18(20-4)16-7-5-6-10-19(16,2)3/h8-9,12-13,16,18,20H,5-7,10-11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 107177306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).