N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine

C23H24N2O2S — CID 110222143

IUPACN-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCOc1ccc2c(c1)C=C(CNC(Cc1ccsc1)c1ccc(C)cn1)CO2
InChIInChI=1S/C23H24N2O2S/c1-16-3-5-21(24-12-16)22(10-17-7-8-28-15-17)25-13-18-9-19-11-20(26-2)4-6-23(19)27-14-18/h3-9,11-12,15,22,25H,10,13-14H2,1-2H3
InChIKeyDRVOMXXBRYGGPX-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.81
Rot. Bonds7

About N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine

N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (PubChem CID 110222143) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
PubChem CID110222143
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCOc1ccc2c(c1)C=C(CNC(Cc1ccsc1)c1ccc(C)cn1)CO2
InChIInChI=1S/C23H24N2O2S/c1-16-3-5-21(24-12-16)22(10-17-7-8-28-15-17)25-13-18-9-19-11-20(26-2)4-6-23(19)27-14-18/h3-9,11-12,15,22,25H,10,13-14H2,1-2H3
InChIKeyDRVOMXXBRYGGPX-UHFFFAOYSA-N
XLogP4.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine with MolForge

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Related Compounds

N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 110222149
1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 110222156
N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 110222148
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 102951091
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51595966
3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92559124
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92597640
5-methoxy-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 103802149
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
1-(7-methoxy-2,3-dihydro-1-benzoxepin-4-yl)-N-methyl-2-phenylethanamine
CID 70562034
formamide;N-[[6-(pyridin-3-ylmethoxy)-2H-chromen-3-yl]methyl]hydroxylamine
CID 88507012
(6-methyl-2H-chromen-3-yl)methanol
CID 103351449

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (CID 110222143) is N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is COc1ccc2c(c1)C=C(CNC(Cc1ccsc1)c1ccc(C)cn1)CO2.
What is the InChIKey of N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The InChIKey is DRVOMXXBRYGGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-16-3-5-21(24-12-16)22(10-17-7-8-28-15-17)25-13-18-9-19-11-20(26-2)4-6-23(19)27-14-18/h3-9,11-12,15,22,25H,10,13-14H2,1-2H3.
What are the key properties of N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine has a molecular weight of 392.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 110222143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).