[3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol

C15H17ClN2O — CID 81152345

IUPAC[3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol
SMILESCc1cccc(CN(C)c2ccc(CO)cc2Cl)n1
InChIInChI=1S/C15H17ClN2O/c1-11-4-3-5-13(17-11)9-18(2)15-7-6-12(10-19)8-14(15)16/h3-8,19H,9-10H2,1-2H3
InChIKeyQOQOAQAUHFRZIV-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.17
Rot. Bonds4

About [3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol

[3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol (PubChem CID 81152345) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is [3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol
PubChem CID81152345
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name[3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol
SMILESCc1cccc(CN(C)c2ccc(CO)cc2Cl)n1
InChIInChI=1S/C15H17ClN2O/c1-11-4-3-5-13(17-11)9-18(2)15-7-6-12(10-19)8-14(15)16/h3-8,19H,9-10H2,1-2H3
InChIKeyQOQOAQAUHFRZIV-UHFFFAOYSA-N
XLogP3.17
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.17
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

[3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
CID 81151392
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 114926811
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892
5-bromo-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarbothioamide
CID 114891944
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid
CID 81244047
1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
CID 115996041
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 82967969
6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80951090
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 83155755
3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114287741

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol?
The IUPAC name of [3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol (CID 81152345) is [3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol is Cc1cccc(CN(C)c2ccc(CO)cc2Cl)n1.
What is the InChIKey of [3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol?
The InChIKey is QOQOAQAUHFRZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-4-3-5-13(17-11)9-18(2)15-7-6-12(10-19)8-14(15)16/h3-8,19H,9-10H2,1-2H3.
What are the key properties of [3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol?
[3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol has a molecular weight of 276.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 81152345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).