N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine

C28H34N2O — CID 91375648

IUPACN-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1cccc(CC)c1-c1cc(C)c(CCNC2CCOc3ccccc32)c(C)n1
InChIInChI=1S/C28H34N2O/c1-5-21-10-9-11-22(6-2)28(21)26-18-19(3)23(20(4)30-26)14-16-29-25-15-17-31-27-13-8-7-12-24(25)27/h7-13,18,25,29H,5-6,14-17H2,1-4H3
InChIKeyHCDBVGKEUMDXED-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.15
Rot. Bonds7

About N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine

N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 91375648) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID91375648
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC NameN-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1cccc(CC)c1-c1cc(C)c(CCNC2CCOc3ccccc32)c(C)n1
InChIInChI=1S/C28H34N2O/c1-5-21-10-9-11-22(6-2)28(21)26-18-19(3)23(20(4)30-26)14-16-29-25-15-17-31-27-13-8-7-12-24(25)27/h7-13,18,25,29H,5-6,14-17H2,1-4H3
InChIKeyHCDBVGKEUMDXED-UHFFFAOYSA-N
XLogP6.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

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CID 9862166
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Quotane
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2-(2-(2-(2,6-Diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-ylamino)phenyl)ethanol
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(2-(2-(2,6-Diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-ylamino)-5-fluorophenyl)methanol
CID 25191764
2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine
CID 25191897
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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 91375648) is N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine is CCc1cccc(CC)c1-c1cc(C)c(CCNC2CCOc3ccccc32)c(C)n1.
What is the InChIKey of N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HCDBVGKEUMDXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-5-21-10-9-11-22(6-2)28(21)26-18-19(3)23(20(4)30-26)14-16-29-25-15-17-31-27-13-8-7-12-24(25)27/h7-13,18,25,29H,5-6,14-17H2,1-4H3.
What are the key properties of N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine?
N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 414.59 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 91375648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).