2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol

C24H26N2O2 — CID 142182103

IUPAC2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol
SMILESCc1ccc(-c2ccc3c(c2)CCC(CNCC(O)c2cccnc2)O3)cc1
InChIInChI=1S/C24H26N2O2/c1-17-4-6-18(7-5-17)19-9-11-24-20(13-19)8-10-22(28-24)15-26-16-23(27)21-3-2-12-25-14-21/h2-7,9,11-14,22-23,26-27H,8,10,15-16H2,1H3
InChIKeyCHMWFPINDPDIAC-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.07
Rot. Bonds6

About 2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol

2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol (PubChem CID 142182103) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol
PubChem CID142182103
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol
SMILESCc1ccc(-c2ccc3c(c2)CCC(CNCC(O)c2cccnc2)O3)cc1
InChIInChI=1S/C24H26N2O2/c1-17-4-6-18(7-5-17)19-9-11-24-20(13-19)8-10-22(28-24)15-26-16-23(27)21-3-2-12-25-14-21/h2-7,9,11-14,22-23,26-27H,8,10,15-16H2,1H3
InChIKeyCHMWFPINDPDIAC-UHFFFAOYSA-N
XLogP4.07
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-(4-methylphenyl)benzoic acid
CID 10278315
2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol
CID 20815636
(2R)-2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonic acid
CID 87711513
(2R)-2-[[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonic acid
CID 87711514
N-(4,6-dimethoxypyrimidin-2-yl)-4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzenesulfonamide
CID 20815748
N-(4-cyanophenyl)-4-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzenesulfonamide
CID 59118197
N-[4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]phenyl]sulfonyl-4-methoxybenzamide
CID 22351373
N-(1,2-dihydropyrimidin-2-yl)-4-[(2S)-2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzenesulfonamide
CID 163707940
N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide
CID 59118115
N-(4-cyanophenyl)-5-[2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-methoxybenzenesulfonamide
CID 59118187
1-(4-fluorophenyl)-3-[3-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]phenyl]sulfonylurea
CID 59118184
N-(4,6-dimethoxypyrimidin-2-yl)-4-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 10146365

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol (CID 142182103) is 2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol is Cc1ccc(-c2ccc3c(c2)CCC(CNCC(O)c2cccnc2)O3)cc1.
What is the InChIKey of 2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol?
The InChIKey is CHMWFPINDPDIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17-4-6-18(7-5-17)19-9-11-24-20(13-19)8-10-22(28-24)15-26-16-23(27)21-3-2-12-25-14-21/h2-7,9,11-14,22-23,26-27H,8,10,15-16H2,1H3.
What are the key properties of 2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol?
2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol has a molecular weight of 374.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 142182103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).