[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol

C16H25NO3 — CID 63711599

IUPAC[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
SMILESCOc1ccc(CO)cc1CN(C)CC1CCCOC1
InChIInChI=1S/C16H25NO3/c1-17(9-14-4-3-7-20-12-14)10-15-8-13(11-18)5-6-16(15)19-2/h5-6,8,14,18H,3-4,7,9-12H2,1-2H3
InChIKeyQOBWLXBTDLYALQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.05
Rot. Bonds6

About [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol

[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol (PubChem CID 63711599) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
PubChem CID63711599
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
SMILESCOc1ccc(CO)cc1CN(C)CC1CCCOC1
InChIInChI=1S/C16H25NO3/c1-17(9-14-4-3-7-20-12-14)10-15-8-13(11-18)5-6-16(15)19-2/h5-6,8,14,18H,3-4,7,9-12H2,1-2H3
InChIKeyQOBWLXBTDLYALQ-UHFFFAOYSA-N
XLogP2.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 102771142
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
CID 62545227
1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol (CID 63711599) is [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol is COc1ccc(CO)cc1CN(C)CC1CCCOC1.
What is the InChIKey of [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol?
The InChIKey is QOBWLXBTDLYALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17(9-14-4-3-7-20-12-14)10-15-8-13(11-18)5-6-16(15)19-2/h5-6,8,14,18H,3-4,7,9-12H2,1-2H3.
What are the key properties of [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol?
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol has a molecular weight of 279.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 63711599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).