[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol

C16H26N2O2 — CID 114776468

IUPAC[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1cc(CN)ccc1CN1CC(CO)OC(C)(C)C1
InChIInChI=1S/C16H26N2O2/c1-12-6-13(7-17)4-5-14(12)8-18-9-15(10-19)20-16(2,3)11-18/h4-6,15,19H,7-11,17H2,1-3H3
InChIKeyNPCHJRMNZQFWPD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.43
Rot. Bonds4

About [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776468) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776468
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1cc(CN)ccc1CN1CC(CO)OC(C)(C)C1
InChIInChI=1S/C16H26N2O2/c1-12-6-13(7-17)4-5-14(12)8-18-9-15(10-19)20-16(2,3)11-18/h4-6,15,19H,7-11,17H2,1-3H3
InChIKeyNPCHJRMNZQFWPD-UHFFFAOYSA-N
XLogP1.43
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]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

[4-[(4-fluoro-2-methylphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779732
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776455
1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114776470
2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarbothioamide
CID 114776985
[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779730
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
[3-chloro-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine
CID 102662894
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide
CID 114777120
[4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779927
[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776400

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114776468) is [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol is Cc1cc(CN)ccc1CN1CC(CO)OC(C)(C)C1.
What is the InChIKey of [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is NPCHJRMNZQFWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-6-13(7-17)4-5-14(12)8-18-9-15(10-19)20-16(2,3)11-18/h4-6,15,19H,7-11,17H2,1-3H3.
What are the key properties of [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).