1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine

C16H18N2O — CID 114746616

IUPAC1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cncc(-c2cccc3c2OCCC3)c1
InChIInChI=1S/C16H18N2O/c1-17-9-12-8-14(11-18-10-12)15-6-2-4-13-5-3-7-19-16(13)15/h2,4,6,8,10-11,17H,3,5,7,9H2,1H3
InChIKeyBBIUZRFIJRUUMZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.79
Rot. Bonds3

About 1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine

1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 114746616) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID114746616
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cncc(-c2cccc3c2OCCC3)c1
InChIInChI=1S/C16H18N2O/c1-17-9-12-8-14(11-18-10-12)15-6-2-4-13-5-3-7-19-16(13)15/h2,4,6,8,10-11,17H,3,5,7,9H2,1H3
InChIKeyBBIUZRFIJRUUMZ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine
CID 114746531
1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114746624
4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine
CID 114746607
3-(3,4-dihydro-2H-chromen-8-yl)-4-methylpyridine
CID 165409098
1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469756
N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
CID 116545401
N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine
CID 114746619
1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine
CID 167816225
1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone
CID 114746496
4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine
CID 165409358
1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 107514107

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine (CID 114746616) is 1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1cncc(-c2cccc3c2OCCC3)c1.
What is the InChIKey of 1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is BBIUZRFIJRUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-9-12-8-14(11-18-10-12)15-6-2-4-13-5-3-7-19-16(13)15/h2,4,6,8,10-11,17H,3,5,7,9H2,1H3.
What are the key properties of 1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine?
1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 254.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114746616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).