5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine

C17H20N2O2 — CID 97269712

IUPAC5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
SMILESCOc1ccc2c(c1)OC[C@@H](Cc1ccc(N)nc1C)C2
InChIInChI=1S/C17H20N2O2/c1-11-13(4-6-17(18)19-11)7-12-8-14-3-5-15(20-2)9-16(14)21-10-12/h3-6,9,12H,7-8,10H2,1-2H3,(H2,18,19)/t12-/m0/s1
InChIKeyZPHUHIZAMBVESK-LBPRGKRZSA-N
MW284.36 g/mol
LogP2.77
Rot. Bonds3

About 5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine

5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine (PubChem CID 97269712) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
PubChem CID97269712
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
SMILESCOc1ccc2c(c1)OC[C@@H](Cc1ccc(N)nc1C)C2
InChIInChI=1S/C17H20N2O2/c1-11-13(4-6-17(18)19-11)7-12-8-14-3-5-15(20-2)9-16(14)21-10-12/h3-6,9,12H,7-8,10H2,1-2H3,(H2,18,19)/t12-/m0/s1
InChIKeyZPHUHIZAMBVESK-LBPRGKRZSA-N
XLogP2.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
CID 97146960
6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridin-2-amine
CID 72938963
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97269713
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine
CID 97131874
4-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 72870091
6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine
CID 72904160
2-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97285664
6-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116124
6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116123
2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide
CID 72849732
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of 5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine (CID 97269712) is 5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine is COc1ccc2c(c1)OC[C@@H](Cc1ccc(N)nc1C)C2.
What is the InChIKey of 5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine?
The InChIKey is ZPHUHIZAMBVESK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-13(4-6-17(18)19-11)7-12-8-14-3-5-15(20-2)9-16(14)21-10-12/h3-6,9,12H,7-8,10H2,1-2H3,(H2,18,19)/t12-/m0/s1.
What are the key properties of 5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine?
5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 97269712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).