[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol

C16H26N2O2 — CID 102932113

IUPAC[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol
SMILESCc1cccc(C(C(C)N)N2CC(C)OC(CO)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11-5-4-6-14(7-11)16(13(3)17)18-8-12(2)20-15(9-18)10-19/h4-7,12-13,15-16,19H,8-10,17H2,1-3H3
InChIKeyBBGXBWBFKBQXHT-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.46
Rot. Bonds4

About [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol

[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932113) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932113
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol
SMILESCc1cccc(C(C(C)N)N2CC(C)OC(CO)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11-5-4-6-14(7-11)16(13(3)17)18-8-12(2)20-15(9-18)10-19/h4-7,12-13,15-16,19H,8-10,17H2,1-3H3
InChIKeyBBGXBWBFKBQXHT-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol with MolForge

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Related Compounds

1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 79188749
[4-[2-amino-1-(4-methoxyphenyl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932082
[4-[1-(3-aminophenyl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932218
[4-[2-amino-1-(4-bromothiophen-2-yl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932204
[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932165
[4-[2-amino-1-(3-chlorophenyl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932163
[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol
CID 102936392
[4-[2-amino-1-(3-fluorophenyl)propyl]morpholin-2-yl]methanol
CID 81205350
[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932098
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
CID 61310482
1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
CID 106667892
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
CID 104960603

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol (CID 102932113) is [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol is Cc1cccc(C(C(C)N)N2CC(C)OC(CO)C2)c1.
What is the InChIKey of [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is BBGXBWBFKBQXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-5-4-6-14(7-11)16(13(3)17)18-8-12(2)20-15(9-18)10-19/h4-7,12-13,15-16,19H,8-10,17H2,1-3H3.
What are the key properties of [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol?
[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).