(3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine

C16H17NO — CID 124637234

IUPAC(3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine
SMILESCc1cc2c(c(C)c1N)[C@@H](c1ccccc1)CO2
InChIInChI=1S/C16H17NO/c1-10-8-14-15(11(2)16(10)17)13(9-18-14)12-6-4-3-5-7-12/h3-8,13H,9,17H2,1-2H3/t13-/m1/s1
InChIKeyWZEGWLOSWITYOL-CYBMUJFWSA-N
MW239.32 g/mol
LogP3.41
Rot. Bonds1

About (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine

(3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 124637234) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound Name(3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine
PubChem CID124637234
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine
SMILESCc1cc2c(c(C)c1N)[C@@H](c1ccccc1)CO2
InChIInChI=1S/C16H17NO/c1-10-8-14-15(11(2)16(10)17)13(9-18-14)12-6-4-3-5-7-12/h3-8,13H,9,17H2,1-2H3/t13-/m1/s1
InChIKeyWZEGWLOSWITYOL-CYBMUJFWSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine 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

(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one
CID 95861308
N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide
CID 23114243
7-methyl-3-phenyl-2,3-dihydro-1-benzofuran
CID 15691552
N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine
CID 68707337
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837220
3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 86151541
7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
(1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene
CID 159807996
4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzothiophen-5-amine
CID 68708204
3-(3-methoxyphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran
CID 23113923

Frequently Asked Questions

What is the IUPAC name of (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine (CID 124637234) is (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine is Cc1cc2c(c(C)c1N)[C@@H](c1ccccc1)CO2.
What is the InChIKey of (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is WZEGWLOSWITYOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO/c1-10-8-14-15(11(2)16(10)17)13(9-18-14)12-6-4-3-5-7-12/h3-8,13H,9,17H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine?
(3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 239.32 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 124637234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).