1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine

C18H27NO — CID 107293642

IUPAC1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCNC(c1ccc2c(c1)C(C)(C)CO2)C1(C)CCCC1
InChIInChI=1S/C18H27NO/c1-17(2)12-20-15-8-7-13(11-14(15)17)16(19-4)18(3)9-5-6-10-18/h7-8,11,16,19H,5-6,9-10,12H2,1-4H3
InChIKeyPHSVWYDTXIXTHI-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.20
Rot. Bonds3

About 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine (PubChem CID 107293642) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
PubChem CID107293642
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCNC(c1ccc2c(c1)C(C)(C)CO2)C1(C)CCCC1
InChIInChI=1S/C18H27NO/c1-17(2)12-20-15-8-7-13(11-14(15)17)16(19-4)18(3)9-5-6-10-18/h7-8,11,16,19H,5-6,9-10,12H2,1-4H3
InChIKeyPHSVWYDTXIXTHI-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 107293669
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 107293623
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107293658
3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 107293631
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine
CID 107293609
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
N-methyl-1-(1-methylcyclohexyl)-1-naphthalen-2-ylmethanamine
CID 106830028
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 107293620
5-[bromo-(3,5-difluorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294572
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 107293637

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine (CID 107293642) is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine is CNC(c1ccc2c(c1)C(C)(C)CO2)C1(C)CCCC1.
What is the InChIKey of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The InChIKey is PHSVWYDTXIXTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2)12-20-15-8-7-13(11-14(15)17)16(19-4)18(3)9-5-6-10-18/h7-8,11,16,19H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 107293642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).