(4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine

C18H21NO2 — CID 104946428

IUPAC(4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOCc1cccc(C2C[C@H](N)c3cc(C)ccc3O2)c1
InChIInChI=1S/C18H21NO2/c1-12-6-7-17-15(8-12)16(19)10-18(21-17)14-5-3-4-13(9-14)11-20-2/h3-9,16,18H,10-11,19H2,1-2H3/t16-,18?/m0/s1
InChIKeySAOXCVDFAWIYAN-ATNAJCNCSA-N
MW283.37 g/mol
LogP3.67
Rot. Bonds3

About (4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine

(4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946428) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946428
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOCc1cccc(C2C[C@H](N)c3cc(C)ccc3O2)c1
InChIInChI=1S/C18H21NO2/c1-12-6-7-17-15(8-12)16(19)10-18(21-17)14-5-3-4-13(9-14)11-20-2/h3-9,16,18H,10-11,19H2,1-2H3/t16-,18?/m0/s1
InChIKeySAOXCVDFAWIYAN-ATNAJCNCSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946698
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766
(4S)-2-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946403
(4R)-2-(2,6-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946645
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709442
2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709587
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
(4R)-7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945465
7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709213
2-(4-fluoro-2-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709770

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104946428) is (4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine is COCc1cccc(C2C[C@H](N)c3cc(C)ccc3O2)c1.
What is the InChIKey of (4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SAOXCVDFAWIYAN-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-6-7-17-15(8-12)16(19)10-18(21-17)14-5-3-4-13(9-14)11-20-2/h3-9,16,18H,10-11,19H2,1-2H3/t16-,18?/m0/s1.
What are the key properties of (4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).