6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C17H20N2O — CID 82461557

IUPAC6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc2c(cc1C)C(NCc1cccnc1)CCO2
InChIInChI=1S/C17H20N2O/c1-12-8-15-16(5-7-20-17(15)9-13(12)2)19-11-14-4-3-6-18-10-14/h3-4,6,8-10,16,19H,5,7,11H2,1-2H3
InChIKeyJFHMPNYECTVHPN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.31
Rot. Bonds3

About 6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461557) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461557
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc2c(cc1C)C(NCc1cccnc1)CCO2
InChIInChI=1S/C17H20N2O/c1-12-8-15-16(5-7-20-17(15)9-13(12)2)19-11-14-4-3-6-18-10-14/h3-4,6,8-10,16,19H,5,7,11H2,1-2H3
InChIKeyJFHMPNYECTVHPN-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461441
N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461561
6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461686
6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 60914256
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461541
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63305839
7-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758904
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 12851989

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461557) is 6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cc2c(cc1C)C(NCc1cccnc1)CCO2.
What is the InChIKey of 6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JFHMPNYECTVHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-8-15-16(5-7-20-17(15)9-13(12)2)19-11-14-4-3-6-18-10-14/h3-4,6,8-10,16,19H,5,7,11H2,1-2H3.
What are the key properties of 6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).