[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C17H19NO — CID 129383306

IUPAC[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cccc(C)c1-c1cccc2c1O[C@@H](CN)C2
InChIInChI=1S/C17H19NO/c1-11-5-3-6-12(2)16(11)15-8-4-7-13-9-14(10-18)19-17(13)15/h3-8,14H,9-10,18H2,1-2H3/t14-/m1/s1
InChIKeyUHVPWPUIFXZKRX-CQSZACIVSA-N
MW253.35 g/mol
LogP3.23
Rot. Bonds2

About [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 129383306) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID129383306
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cccc(C)c1-c1cccc2c1O[C@@H](CN)C2
InChIInChI=1S/C17H19NO/c1-11-5-3-6-12(2)16(11)15-8-4-7-13-9-14(10-18)19-17(13)15/h3-8,14H,9-10,18H2,1-2H3/t14-/m1/s1
InChIKeyUHVPWPUIFXZKRX-CQSZACIVSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]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

[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine;hydrochloride
CID 138399168
[(2S)-5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129384142
[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636
[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56701421
[7-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56705937
[(2R)-7-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95200383
[(2R)-7-(3-methylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95205980
[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95388290
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69112690
[5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960947

Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 129383306) is [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1cccc(C)c1-c1cccc2c1O[C@@H](CN)C2.
What is the InChIKey of [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is UHVPWPUIFXZKRX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-5-3-6-12(2)16(11)15-8-4-7-13-9-14(10-18)19-17(13)15/h3-8,14H,9-10,18H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 129383306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).