[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol

C17H28N2O2 — CID 102932165

IUPAC[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol
SMILESCCC(N)C(c1ccccc1C)N1CC(C)OC(CO)C1
InChIInChI=1S/C17H28N2O2/c1-4-16(18)17(15-8-6-5-7-12(15)2)19-9-13(3)21-14(10-19)11-20/h5-8,13-14,16-17,20H,4,9-11,18H2,1-3H3
InChIKeyUTFJYMLMKJLCQN-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.86
Rot. Bonds5

About [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol

[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932165) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932165
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol
SMILESCCC(N)C(c1ccccc1C)N1CC(C)OC(CO)C1
InChIInChI=1S/C17H28N2O2/c1-4-16(18)17(15-8-6-5-7-12(15)2)19-9-13(3)21-14(10-19)11-20/h5-8,13-14,16-17,20H,4,9-11,18H2,1-3H3
InChIKeyUTFJYMLMKJLCQN-UHFFFAOYSA-N
XLogP1.86
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol with MolForge

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Related Compounds

[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932098
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
1-[2-amino-1-(2-methylphenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451104
1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
CID 102956063
[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932113
[4-[2-amino-1-(2-chlorophenyl)butyl]morpholin-2-yl]methanol
CID 81206374
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
[1-[2-amino-1-(2-methylphenyl)butyl]azepan-2-yl]methanol
CID 116634160
[4-[2-amino-1-(4-methoxyphenyl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932082
1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine
CID 102956236
[4-[2-amino-1-(4-bromothiophen-2-yl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932204
8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763923

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol (CID 102932165) is [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol is CCC(N)C(c1ccccc1C)N1CC(C)OC(CO)C1.
What is the InChIKey of [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is UTFJYMLMKJLCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-16(18)17(15-8-6-5-7-12(15)2)19-9-13(3)21-14(10-19)11-20/h5-8,13-14,16-17,20H,4,9-11,18H2,1-3H3.
What are the key properties of [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol?
[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 292.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).