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

C18H21NO2 — CID 114709843

IUPAC2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(N)CC(c1ccc(C)c(C)c1)O2
InChIInChI=1S/C18H21NO2/c1-11-4-5-13(8-12(11)2)18-10-16(19)15-9-14(20-3)6-7-17(15)21-18/h4-9,16,18H,10,19H2,1-3H3
InChIKeyPAPUWKWSLVURPN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.84
Rot. Bonds2

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

2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709843) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709843
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(N)CC(c1ccc(C)c(C)c1)O2
InChIInChI=1S/C18H21NO2/c1-11-4-5-13(8-12(11)2)18-10-16(19)15-9-14(20-3)6-7-17(15)21-18/h4-9,16,18H,10,19H2,1-3H3
InChIKeyPAPUWKWSLVURPN-UHFFFAOYSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(4-fluoro-3-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946999
(4R)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404456
(4S)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404455
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
(4S)-2-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946403
(4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947108
4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol
CID 104946997
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
2-(4-bromo-5-methylthiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846073
(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947077
(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944865

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 114709843) is 2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(N)CC(c1ccc(C)c(C)c1)O2.
What is the InChIKey of 2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PAPUWKWSLVURPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-4-5-13(8-12(11)2)18-10-16(19)15-9-14(20-3)6-7-17(15)21-18/h4-9,16,18H,10,19H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).