N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine

C19H29NO — CID 103966172

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCC2COc3ccccc32)CC(C)(C)C1
InChIInChI=1S/C19H29NO/c1-18(2)9-15(10-19(3,4)13-18)20-11-14-12-21-17-8-6-5-7-16(14)17/h5-8,14-15,20H,9-13H2,1-4H3
InChIKeyFJWYEFDYUBXDPI-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.36
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103966172) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103966172
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCC2COc3ccccc32)CC(C)(C)C1
InChIInChI=1S/C19H29NO/c1-18(2)9-15(10-19(3,4)13-18)20-11-14-12-21-17-8-6-5-7-16(14)17/h5-8,14-15,20H,9-13H2,1-4H3
InChIKeyFJWYEFDYUBXDPI-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103966172) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(NCC2COc3ccccc32)CC(C)(C)C1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is FJWYEFDYUBXDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-18(2)9-15(10-19(3,4)13-18)20-11-14-12-21-17-8-6-5-7-16(14)17/h5-8,14-15,20H,9-13H2,1-4H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103966172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).