(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol

C16H20N2O — CID 103959768

IUPAC(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)Cc1ccncc1
InChIInChI=1S/C16H20N2O/c1-3-16(19)14-6-4-5-7-15(14)18(2)12-13-8-10-17-11-9-13/h4-11,16,19H,3,12H2,1-2H3/t16-/m1/s1
InChIKeyWSZJGAYGOOHKFM-MRXNPFEDSA-N
MW256.35 g/mol
LogP3.16
Rot. Bonds5

About (1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol

(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol (PubChem CID 103959768) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
PubChem CID103959768
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)Cc1ccncc1
InChIInChI=1S/C16H20N2O/c1-3-16(19)14-6-4-5-7-15(14)18(2)12-13-8-10-17-11-9-13/h4-11,16,19H,3,12H2,1-2H3/t16-/m1/s1
InChIKeyWSZJGAYGOOHKFM-MRXNPFEDSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959822
(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-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol
CID 103959914
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959837
1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
CID 115996041
(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 63371131
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
CID 103960340
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
CID 113359035

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol (CID 103959768) is (1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N(C)Cc1ccncc1.
What is the InChIKey of (1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol?
The InChIKey is WSZJGAYGOOHKFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-16(19)14-6-4-5-7-15(14)18(2)12-13-8-10-17-11-9-13/h4-11,16,19H,3,12H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol?
(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103959768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).