N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine

C18H22N2O — CID 114712742

IUPACN-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(C)nc2)Oc2ccc(C)cc21
InChIInChI=1S/C18H22N2O/c1-4-19-16-10-18(14-7-6-13(3)20-11-14)21-17-8-5-12(2)9-15(16)17/h5-9,11,16,18-19H,4,10H2,1-3H3
InChIKeyAOSUVZSKSZSYLX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.87
Rot. Bonds3

About N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine

N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712742) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712742
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(C)nc2)Oc2ccc(C)cc21
InChIInChI=1S/C18H22N2O/c1-4-19-16-10-18(14-7-6-13(3)20-11-14)21-17-8-5-12(2)9-15(16)17/h5-9,11,16,18-19H,4,10H2,1-3H3
InChIKeyAOSUVZSKSZSYLX-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 107126247
6-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710538
N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712242
N-ethyl-2-(2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712724
N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710640
6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713385
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
6-bromo-2-(5-bromo-2-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713410
7-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713682
6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712835
(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945059
(4R)-6-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948412

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine (CID 114712742) is N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2ccc(C)nc2)Oc2ccc(C)cc21.
What is the InChIKey of N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AOSUVZSKSZSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-19-16-10-18(14-7-6-13(3)20-11-14)21-17-8-5-12(2)9-15(16)17/h5-9,11,16,18-19H,4,10H2,1-3H3.
What are the key properties of N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).