[3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine

C16H26N2O2 — CID 43544254

IUPAC[3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine
SMILESCC1CN(CCCOc2cccc(CN)c2)C(C)CO1
InChIInChI=1S/C16H26N2O2/c1-13-12-20-14(2)11-18(13)7-4-8-19-16-6-3-5-15(9-16)10-17/h3,5-6,9,13-14H,4,7-8,10-12,17H2,1-2H3
InChIKeyLVMXJDUCIUTADW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.02
Rot. Bonds6

About [3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine

[3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine (PubChem CID 43544254) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine
PubChem CID43544254
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine
SMILESCC1CN(CCCOc2cccc(CN)c2)C(C)CO1
InChIInChI=1S/C16H26N2O2/c1-13-12-20-14(2)11-18(13)7-4-8-19-16-6-3-5-15(9-16)10-17/h3,5-6,9,13-14H,4,7-8,10-12,17H2,1-2H3
InChIKeyLVMXJDUCIUTADW-UHFFFAOYSA-N
XLogP2.02
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine?
The IUPAC name of [3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine (CID 43544254) is [3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine is CC1CN(CCCOc2cccc(CN)c2)C(C)CO1.
What is the InChIKey of [3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine?
The InChIKey is LVMXJDUCIUTADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-12-20-14(2)11-18(13)7-4-8-19-16-6-3-5-15(9-16)10-17/h3,5-6,9,13-14H,4,7-8,10-12,17H2,1-2H3.
What are the key properties of [3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine?
[3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 43544254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).