6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine

C18H23N3O2 — CID 97116123

IUPAC6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
SMILESCOc1ccc2c(c1)OC[C@H](Cc1ccc(NC(C)C)nn1)C2
InChIInChI=1S/C18H23N3O2/c1-12(2)19-18-7-5-15(20-21-18)9-13-8-14-4-6-16(22-3)10-17(14)23-11-13/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeySEHUSPOZXHQGIX-ZDUSSCGKSA-N
MW313.40 g/mol
LogP3.10
Rot. Bonds5

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

6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine (PubChem CID 97116123) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
PubChem CID97116123
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
SMILESCOc1ccc2c(c1)OC[C@H](Cc1ccc(NC(C)C)nn1)C2
InChIInChI=1S/C18H23N3O2/c1-12(2)19-18-7-5-15(20-21-18)9-13-8-14-4-6-16(22-3)10-17(14)23-11-13/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeySEHUSPOZXHQGIX-ZDUSSCGKSA-N
XLogP3.10
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine with MolForge

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Related Compounds

6-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116124
4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine
CID 72910039
2-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97285664
6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridin-2-amine
CID 72938963
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-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-piperidin-1-ylpyrimidine
CID 97270402
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine
CID 72849919
2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide
CID 72849732
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940
5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
CID 97269712
2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine
CID 97130017

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine?
The IUPAC name of 6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine (CID 97116123) is 6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine?
The canonical SMILES for 6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine is COc1ccc2c(c1)OC[C@H](Cc1ccc(NC(C)C)nn1)C2.
What is the InChIKey of 6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine?
The InChIKey is SEHUSPOZXHQGIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)19-18-7-5-15(20-21-18)9-13-8-14-4-6-16(22-3)10-17(14)23-11-13/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine?
6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine has a molecular weight of 313.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 97116123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).