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

C16H18N2O — CID 82461441

IUPAC6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(NCc1cccnc1)CCO2
InChIInChI=1S/C16H18N2O/c1-12-4-5-16-14(9-12)15(6-8-19-16)18-11-13-3-2-7-17-10-13/h2-5,7,9-10,15,18H,6,8,11H2,1H3
InChIKeyNUMURSWHJJLRDW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.00
Rot. Bonds3

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

6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461441) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461441
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(NCc1cccnc1)CCO2
InChIInChI=1S/C16H18N2O/c1-12-4-5-16-14(9-12)15(6-8-19-16)18-11-13-3-2-7-17-10-13/h2-5,7,9-10,15,18H,6,8,11H2,1H3
InChIKeyNUMURSWHJJLRDW-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461557
6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 60914256
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 12851989
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63305839
N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461432
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine
CID 99828366

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461441) is 6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)C(NCc1cccnc1)CCO2.
What is the InChIKey of 6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NUMURSWHJJLRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-4-5-16-14(9-12)15(6-8-19-16)18-11-13-3-2-7-17-10-13/h2-5,7,9-10,15,18H,6,8,11H2,1H3.
What are the key properties of 6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 254.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).