[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol

C17H21NO2 — CID 62019327

IUPAC[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1CN(C)Cc1ccccc1
InChIInChI=1S/C17H21NO2/c1-18(11-14-6-4-3-5-7-14)12-16-10-15(13-19)8-9-17(16)20-2/h3-10,19H,11-13H2,1-2H3
InChIKeyINHGDTIMIYERGZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.82
Rot. Bonds6

About [3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol

[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol (PubChem CID 62019327) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
PubChem CID62019327
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1CN(C)Cc1ccccc1
InChIInChI=1S/C17H21NO2/c1-18(11-14-6-4-3-5-7-14)12-16-10-15(13-19)8-9-17(16)20-2/h3-10,19H,11-13H2,1-2H3
InChIKeyINHGDTIMIYERGZ-UHFFFAOYSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
[3-[(dipropylamino)methyl]-4-methoxyphenyl]methanol
CID 62018767
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
[5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol
CID 46992736
N-benzyl-5-(hydroxymethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 113241762
[3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019689
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144

Frequently Asked Questions

What is the IUPAC name of [3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol?
The IUPAC name of [3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol (CID 62019327) is [3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol?
The canonical SMILES for [3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol is COc1ccc(CO)cc1CN(C)Cc1ccccc1.
What is the InChIKey of [3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol?
The InChIKey is INHGDTIMIYERGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(11-14-6-4-3-5-7-14)12-16-10-15(13-19)8-9-17(16)20-2/h3-10,19H,11-13H2,1-2H3.
What are the key properties of [3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol?
[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol is sourced from PubChem (CID 62019327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).