N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline

C18H21NO — CID 43804020

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c1-13(2)16-5-3-4-6-17(16)19-12-14-7-8-18-15(11-14)9-10-20-18/h3-8,11,13,19H,9-10,12H2,1-2H3
InChIKeyVSQANTVRUUBLQN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.36
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline (PubChem CID 43804020) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
PubChem CID43804020
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c1-13(2)16-5-3-4-6-17(16)19-12-14-7-8-18-15(11-14)9-10-20-18/h3-8,11,13,19H,9-10,12H2,1-2H3
InChIKeyVSQANTVRUUBLQN-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline 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

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-propan-2-ylaniline
CID 65430651
2-(1-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 65446524
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
CID 43804211
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluorobenzene-1,2-diamine
CID 115127091
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline
CID 43804363
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-3-nitroaniline
CID 43804373
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102609948
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol
CID 43804425
3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
CID 119934663

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline (CID 43804020) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline is CC(C)c1ccccc1NCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline?
The InChIKey is VSQANTVRUUBLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)16-5-3-4-6-17(16)19-12-14-7-8-18-15(11-14)9-10-20-18/h3-8,11,13,19H,9-10,12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline has a molecular weight of 267.37 g/mol, XLogP of 4.36, 4 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-5-ylmethyl)-2-propan-2-ylaniline is sourced from PubChem (CID 43804020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).