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

C18H21NO — CID 79226180

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NCC2COc3ccccc32)c1
InChIInChI=1S/C18H21NO/c1-13(2)14-6-5-7-16(10-14)19-11-15-12-20-18-9-4-3-8-17(15)18/h3-10,13,15,19H,11-12H2,1-2H3
InChIKeyGSTARQPTZDIDON-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.40
Rot. Bonds4

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

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline (PubChem CID 79226180) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline
PubChem CID79226180
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NCC2COc3ccccc32)c1
InChIInChI=1S/C18H21NO/c1-13(2)14-6-5-7-16(10-14)19-11-15-12-20-18-9-4-3-8-17(15)18/h3-10,13,15,19H,11-12H2,1-2H3
InChIKeyGSTARQPTZDIDON-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-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-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline
CID 104768252
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 79218652
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline
CID 107573888
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 79218644
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365124
2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79229682
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
CID 79218781
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodoaniline
CID 104768255
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
CID 79226500

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline (CID 79226180) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline is CC(C)c1cccc(NCC2COc3ccccc32)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline?
The InChIKey is GSTARQPTZDIDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)14-6-5-7-16(10-14)19-11-15-12-20-18-9-4-3-8-17(15)18/h3-10,13,15,19H,11-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline has a molecular weight of 267.37 g/mol, XLogP of 4.40, 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-3-ylmethyl)-3-propan-2-ylaniline is sourced from PubChem (CID 79226180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).