[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol

C15H18N2O — CID 71845475

IUPAC[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol
SMILESCc1ccc(CNc2cnccc2CO)c(C)c1
InChIInChI=1S/C15H18N2O/c1-11-3-4-13(12(2)7-11)8-17-15-9-16-6-5-14(15)10-18/h3-7,9,17-18H,8,10H2,1-2H3
InChIKeyHKMRWUYUNVPRGH-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.80
Rot. Bonds4

About [3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol

[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol (PubChem CID 71845475) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol
PubChem CID71845475
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol
SMILESCc1ccc(CNc2cnccc2CO)c(C)c1
InChIInChI=1S/C15H18N2O/c1-11-3-4-13(12(2)7-11)8-17-15-9-16-6-5-14(15)10-18/h3-7,9,17-18H,8,10H2,1-2H3
InChIKeyHKMRWUYUNVPRGH-UHFFFAOYSA-N
XLogP2.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-fluoro-5-methylphenyl)methylamino]-4-pyridinyl]methanol
CID 75436066
[2-[(2,4-dimethylphenyl)methylamino]phenyl]methanol
CID 43743124
[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol
CID 115749542
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
N-[(2,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 79041859
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087
[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol
CID 99620226
4-[(2,4-dimethylphenyl)methyl]pyridin-3-amine
CID 96612968
[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol
CID 75436061
2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115124442
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol?
The IUPAC name of [3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol (CID 71845475) is [3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol is Cc1ccc(CNc2cnccc2CO)c(C)c1.
What is the InChIKey of [3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol?
The InChIKey is HKMRWUYUNVPRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-3-4-13(12(2)7-11)8-17-15-9-16-6-5-14(15)10-18/h3-7,9,17-18H,8,10H2,1-2H3.
What are the key properties of [3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol?
[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol has a molecular weight of 242.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 71845475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).