[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol

C13H20N2O2 — CID 81206370

IUPAC[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol
SMILESCc1ccc(CN)c(N2CCOC(CO)C2)c1
InChIInChI=1S/C13H20N2O2/c1-10-2-3-11(7-14)13(6-10)15-4-5-17-12(8-15)9-16/h2-3,6,12,16H,4-5,7-9,14H2,1H3
InChIKeyVHZKXQKBPGWVGE-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.65
Rot. Bonds3

About [4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol

[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol (PubChem CID 81206370) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol
PubChem CID81206370
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol
SMILESCc1ccc(CN)c(N2CCOC(CO)C2)c1
InChIInChI=1S/C13H20N2O2/c1-10-2-3-11(7-14)13(6-10)15-4-5-17-12(8-15)9-16/h2-3,6,12,16H,4-5,7-9,14H2,1H3
InChIKeyVHZKXQKBPGWVGE-UHFFFAOYSA-N
XLogP0.65
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenesulfonic acid;hydrochloride
CID 176654442
2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide
CID 81202892
(4-methyl-2-morpholin-4-ylphenyl)methanamine
CID 62308441
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
[2-(2-ethylmorpholin-4-yl)-4-methoxyphenyl]methanamine
CID 81299705
2-[2-(2-ethylmorpholin-4-yl)-5-methylphenyl]ethanamine
CID 114055302
[4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81205346
[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine
CID 103530729
[4-(4-amino-3-methylphenyl)morpholin-2-yl]methanol
CID 81206062
[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62308620
[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
CID 81205561
[4-[2-(aminomethyl)-4-pyridinyl]morpholin-2-yl]methanol
CID 81205345

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol (CID 81206370) is [4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol is Cc1ccc(CN)c(N2CCOC(CO)C2)c1.
What is the InChIKey of [4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol?
The InChIKey is VHZKXQKBPGWVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-2-3-11(7-14)13(6-10)15-4-5-17-12(8-15)9-16/h2-3,6,12,16H,4-5,7-9,14H2,1H3.
What are the key properties of [4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol?
[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81206370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).