[5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol

C21H22N2O2 — CID 11551734

IUPAC[5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(C(Cc2ccccc2)c2cccc(N)n2)cc1CO
InChIInChI=1S/C21H22N2O2/c1-25-20-11-10-16(13-17(20)14-24)18(12-15-6-3-2-4-7-15)19-8-5-9-21(22)23-19/h2-11,13,18,24H,12,14H2,1H3,(H2,22,23)
InChIKeyVCEOSZIMQWGMMC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.54
Rot. Bonds6

About [5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol

[5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol (PubChem CID 11551734) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol
PubChem CID11551734
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name[5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(C(Cc2ccccc2)c2cccc(N)n2)cc1CO
InChIInChI=1S/C21H22N2O2/c1-25-20-11-10-16(13-17(20)14-24)18(12-15-6-3-2-4-7-15)19-8-5-9-21(22)23-19/h2-11,13,18,24H,12,14H2,1H3,(H2,22,23)
InChIKeyVCEOSZIMQWGMMC-UHFFFAOYSA-N
XLogP3.54
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methane;6-[1-(4-methoxyphenyl)-2-phenylethyl]pyridin-2-amine
CID 143272438
6-[2-[3-(cyclopropylmethyl)phenyl]-1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 11639047
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019327
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
6-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 96614912
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine
CID 91059211
2-amino-1-(6-methoxy-2-pyridinyl)-3-phenylpropan-1-ol
CID 103347781
(2-(111C)methoxyphenyl)methanol
CID 59897789
[5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol
CID 46992736
1-(3-chloro-4,5-dimethoxyphenyl)-2-phenylethanamine
CID 60955928

Frequently Asked Questions

What is the IUPAC name of [5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol?
The IUPAC name of [5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol (CID 11551734) is [5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol?
The canonical SMILES for [5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol is COc1ccc(C(Cc2ccccc2)c2cccc(N)n2)cc1CO.
What is the InChIKey of [5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol?
The InChIKey is VCEOSZIMQWGMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-20-11-10-16(13-17(20)14-24)18(12-15-6-3-2-4-7-15)19-8-5-9-21(22)23-19/h2-11,13,18,24H,12,14H2,1H3,(H2,22,23).
What are the key properties of [5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol?
[5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol has a molecular weight of 334.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(6-amino-2-pyridinyl)-2-phenylethyl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 11551734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).