1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol

C17H22N2O2 — CID 81393339

IUPAC1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
SMILESCOc1ccc(C)cc1C(O)CN[C@@H](C)c1ccccn1
InChIInChI=1S/C17H22N2O2/c1-12-7-8-17(21-3)14(10-12)16(20)11-19-13(2)15-6-4-5-9-18-15/h4-10,13,16,19-20H,11H2,1-3H3/t13-,16?/m0/s1
InChIKeyBKCNPKFHIQKWKC-KNVGNIICSA-N
MW286.38 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol

1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol (PubChem CID 81393339) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
PubChem CID81393339
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
SMILESCOc1ccc(C)cc1C(O)CN[C@@H](C)c1ccccn1
InChIInChI=1S/C17H22N2O2/c1-12-7-8-17(21-3)14(10-12)16(20)11-19-13(2)15-6-4-5-9-18-15/h4-10,13,16,19-20H,11H2,1-3H3/t13-,16?/m0/s1
InChIKeyBKCNPKFHIQKWKC-KNVGNIICSA-N
XLogP2.78
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol with MolForge

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol
CID 60909056
(S)-(2-methoxy-5-methylphenyl)-pyridin-2-ylmethanol
CID 94605501
1-(2-methoxy-5-methylphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459919
1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408941
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
CID 60909735
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382243
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol (CID 81393339) is 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol is COc1ccc(C)cc1C(O)CN[C@@H](C)c1ccccn1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol?
The InChIKey is BKCNPKFHIQKWKC-KNVGNIICSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-7-8-17(21-3)14(10-12)16(20)11-19-13(2)15-6-4-5-9-18-15/h4-10,13,16,19-20H,11H2,1-3H3/t13-,16?/m0/s1.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol?
1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol is sourced from PubChem (CID 81393339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).