[4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol

C15H24N2O3 — CID 81203703

IUPAC[4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol
SMILESNCc1cccc(OCCCN2CCOC(CO)C2)c1
InChIInChI=1S/C15H24N2O3/c16-10-13-3-1-4-14(9-13)19-7-2-5-17-6-8-20-15(11-17)12-18/h1,3-4,9,15,18H,2,5-8,10-12,16H2
InChIKeyZLCFMSHGECEVOP-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.61
Rot. Bonds7

About [4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol

[4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol (PubChem CID 81203703) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol
PubChem CID81203703
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol
SMILESNCc1cccc(OCCCN2CCOC(CO)C2)c1
InChIInChI=1S/C15H24N2O3/c16-10-13-3-1-4-14(9-13)19-7-2-5-17-6-8-20-15(11-17)12-18/h1,3-4,9,15,18H,2,5-8,10-12,16H2
InChIKeyZLCFMSHGECEVOP-UHFFFAOYSA-N
XLogP0.61
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol
CID 81205796
[4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholin-2-yl]methanol
CID 81202906
[4-[2-[3-(aminomethyl)phenoxy]ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932263
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide
CID 81214161
3-[3-(2-ethylmorpholin-4-yl)propoxy]aniline
CID 43562250
[3-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559129
[4-[2-(2-ethylmorpholin-4-yl)ethoxy]phenyl]methanamine
CID 43562361
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
[3-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl]methanamine
CID 43253676
[3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine
CID 43544254
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
CID 143132043

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol (CID 81203703) is [4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol is NCc1cccc(OCCCN2CCOC(CO)C2)c1.
What is the InChIKey of [4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol?
The InChIKey is ZLCFMSHGECEVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-10-13-3-1-4-14(9-13)19-7-2-5-17-6-8-20-15(11-17)12-18/h1,3-4,9,15,18H,2,5-8,10-12,16H2.
What are the key properties of [4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol?
[4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81203703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).