2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine

C16H17NO — CID 117046590

IUPAC2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine
SMILESCc1ccc(C2CCc3cc(N)ccc3O2)cc1
InChIInChI=1S/C16H17NO/c1-11-2-4-12(5-3-11)15-8-6-13-10-14(17)7-9-16(13)18-15/h2-5,7,9-10,15H,6,8,17H2,1H3
InChIKeyYDPZBVUCTSZNOQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.64
Rot. Bonds1

About 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine

2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine (PubChem CID 117046590) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine
PubChem CID117046590
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine
SMILESCc1ccc(C2CCc3cc(N)ccc3O2)cc1
InChIInChI=1S/C16H17NO/c1-11-2-4-12(5-3-11)15-8-6-13-10-14(17)7-9-16(13)18-15/h2-5,7,9-10,15H,6,8,17H2,1H3
InChIKeyYDPZBVUCTSZNOQ-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-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

2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine
CID 117046583
4,4,5,5-tetramethyl-2-[2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]-1,3,2-dioxaborolane
CID 145400461
2-tert-butyl-3,4-dihydro-2H-chromen-6-amine
CID 117046595
2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine
CID 142100009
ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
CID 142956929
(2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol
CID 129388939
6-chloro-2-phenyl-3,4-dihydro-2H-chromene
CID 13250352
2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine
CID 163794602
2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine
CID 57170099
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399
4-(6,7-dimethyl-3,4-dihydro-2H-chromen-2-yl)benzoic acid
CID 82047665
7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene
CID 118637924

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine (CID 117046590) is 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine is Cc1ccc(C2CCc3cc(N)ccc3O2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is YDPZBVUCTSZNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-2-4-12(5-3-11)15-8-6-13-10-14(17)7-9-16(13)18-15/h2-5,7,9-10,15H,6,8,17H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine?
2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 239.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 117046590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).