1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol

C17H22N2O — CID 115996041

IUPAC1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)Cc1cccc(C)n1
InChIInChI=1S/C17H22N2O/c1-4-17(20)15-10-5-6-11-16(15)19(3)12-14-9-7-8-13(2)18-14/h5-11,17,20H,4,12H2,1-3H3
InChIKeyPWOUYUCJLSOVFL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.47
Rot. Bonds5

About 1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol

1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol (PubChem CID 115996041) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
PubChem CID115996041
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)Cc1cccc(C)n1
InChIInChI=1S/C17H22N2O/c1-4-17(20)15-10-5-6-11-16(15)19(3)12-14-9-7-8-13(2)18-14/h5-11,17,20H,4,12H2,1-3H3
InChIKeyPWOUYUCJLSOVFL-UHFFFAOYSA-N
XLogP3.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959815
(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959816
(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
CID 103959768
(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959822
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
CID 103960340
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 82967969
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959837
2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide
CID 81038338
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide
CID 103959904
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
CID 113359035

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol (CID 115996041) is 1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol is CCC(O)c1ccccc1N(C)Cc1cccc(C)n1.
What is the InChIKey of 1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol?
The InChIKey is PWOUYUCJLSOVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-17(20)15-10-5-6-11-16(15)19(3)12-14-9-7-8-13(2)18-14/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of 1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol?
1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol is sourced from PubChem (CID 115996041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).