2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol

C16H19ClN2O2 — CID 71989008

IUPAC2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)N(C)Cc2ccncc2Cl)cc1
InChIInChI=1S/C16H19ClN2O2/c1-19(10-13-7-8-18-9-15(13)17)16(11-20)12-3-5-14(21-2)6-4-12/h3-9,16,20H,10-11H2,1-2H3
InChIKeyBOUQMHWIPMJGDY-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.91
Rot. Bonds6

About 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol

2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol (PubChem CID 71989008) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol
PubChem CID71989008
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)N(C)Cc2ccncc2Cl)cc1
InChIInChI=1S/C16H19ClN2O2/c1-19(10-13-7-8-18-9-15(13)17)16(11-20)12-3-5-14(21-2)6-4-12/h3-9,16,20H,10-11H2,1-2H3
InChIKeyBOUQMHWIPMJGDY-UHFFFAOYSA-N
XLogP2.91
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
CID 96540909
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111122549
3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689792
N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77080069
4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzonitrile
CID 95625791
3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one
CID 111122564
2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111123352
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
CID 95625779
4-[2-(bromomethyl)-3-(4-methoxyphenyl)propyl]-3-chloropyridine
CID 66042104
[1-(3-chloro-4-pyridinyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205447

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol (CID 71989008) is 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol is COc1ccc(C(CO)N(C)Cc2ccncc2Cl)cc1.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The InChIKey is BOUQMHWIPMJGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-19(10-13-7-8-18-9-15(13)17)16(11-20)12-3-5-14(21-2)6-4-12/h3-9,16,20H,10-11H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol?
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol has a molecular weight of 306.79 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 71989008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).