2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine

C18H22N2O — CID 81139220

IUPAC2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
SMILESCC(NC1CC(C)(C)Oc2ccccc21)c1cccnc1
InChIInChI=1S/C18H22N2O/c1-13(14-7-6-10-19-12-14)20-16-11-18(2,3)21-17-9-5-4-8-15(16)17/h4-10,12-13,16,20H,11H2,1-3H3
InChIKeyMZDRYTSYHCXXKW-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.03
Rot. Bonds3

About 2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine (PubChem CID 81139220) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
PubChem CID81139220
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
SMILESCC(NC1CC(C)(C)Oc2ccccc21)c1cccnc1
InChIInChI=1S/C18H22N2O/c1-13(14-7-6-10-19-12-14)20-16-11-18(2,3)21-17-9-5-4-8-15(16)17/h4-10,12-13,16,20H,11H2,1-3H3
InChIKeyMZDRYTSYHCXXKW-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 124743503
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 103905314
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488
2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81140827
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 106281899
N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81407153
(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol
CID 81142918
3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524329
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol
CID 103948496
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
CID 81338296

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine (CID 81139220) is 2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine is CC(NC1CC(C)(C)Oc2ccccc21)c1cccnc1.
What is the InChIKey of 2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is MZDRYTSYHCXXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(14-7-6-10-19-12-14)20-16-11-18(2,3)21-17-9-5-4-8-15(16)17/h4-10,12-13,16,20H,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 282.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81139220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).