[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol

C16H20N2O — CID 62121542

IUPAC[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol
SMILESCc1cc(CO)ccc1N(C)CCc1ccccn1
InChIInChI=1S/C16H20N2O/c1-13-11-14(12-19)6-7-16(13)18(2)10-8-15-5-3-4-9-17-15/h3-7,9,11,19H,8,10,12H2,1-2H3
InChIKeyJGKYVTNBZDRGCO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.56
Rot. Bonds5

About [3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol

[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol (PubChem CID 62121542) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol
PubChem CID62121542
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol
SMILESCc1cc(CO)ccc1N(C)CCc1ccccn1
InChIInChI=1S/C16H20N2O/c1-13-11-14(12-19)6-7-16(13)18(2)10-8-15-5-3-4-9-17-15/h3-7,9,11,19H,8,10,12H2,1-2H3
InChIKeyJGKYVTNBZDRGCO-UHFFFAOYSA-N
XLogP2.56
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 107079644
[2-[methyl(2-pyridin-2-ylethyl)amino]-4-pyridinyl]methanol
CID 61256233
2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 81146369
3-bromo-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 82800570
[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol
CID 28963656
[5-[methyl(2-pyridin-2-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372677
2-iodo-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 66094959
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109
[6-[methyl(2-pyridin-2-ylethyl)amino]pyridazin-3-yl]methanol
CID 61256234
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
N,3-dimethyl-5-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 80629000

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol?
The IUPAC name of [3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol (CID 62121542) is [3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol.
What is the SMILES notation for [3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol?
The canonical SMILES for [3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol is Cc1cc(CO)ccc1N(C)CCc1ccccn1.
What is the InChIKey of [3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol?
The InChIKey is JGKYVTNBZDRGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-11-14(12-19)6-7-16(13)18(2)10-8-15-5-3-4-9-17-15/h3-7,9,11,19H,8,10,12H2,1-2H3.
What are the key properties of [3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol?
[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol has a molecular weight of 256.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol is sourced from PubChem (CID 62121542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).