3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine

C17H20N2O — CID 104524329

IUPAC3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1N[C@@H](C)c1cccnc1
InChIInChI=1S/C17H20N2O/c1-12-11-20-16-8-4-3-7-15(16)17(12)19-13(2)14-6-5-9-18-10-14/h3-10,12-13,17,19H,11H2,1-2H3/t12?,13-,17?/m0/s1
InChIKeyKGELMKPUTHKYSL-JZLYGMAVSA-N
MW268.36 g/mol
LogP3.50
Rot. Bonds3

About 3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine

3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104524329) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID104524329
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1N[C@@H](C)c1cccnc1
InChIInChI=1S/C17H20N2O/c1-12-11-20-16-8-4-3-7-15(16)17(12)19-13(2)14-6-5-9-18-10-14/h3-10,12-13,17,19H,11H2,1-2H3/t12?,13-,17?/m0/s1
InChIKeyKGELMKPUTHKYSL-JZLYGMAVSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524304
3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104523999
3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523855
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260
2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
CID 81139220
N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524318
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
CID 113422664
methyl (2S)-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanoate
CID 104523978
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 43204657
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 114698615

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine (CID 104524329) is 3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine is CC1COc2ccccc2C1N[C@@H](C)c1cccnc1.
What is the InChIKey of 3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KGELMKPUTHKYSL-JZLYGMAVSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-11-20-16-8-4-3-7-15(16)17(12)19-13(2)14-6-5-9-18-10-14/h3-10,12-13,17,19H,11H2,1-2H3/t12?,13-,17?/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine?
3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104524329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).