4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride

C12H19ClN2O2 — CID 70130204

IUPAC4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride
SMILESCOc1ccc(N)cc1CC1CNCCO1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-15-12-3-2-10(13)6-9(12)7-11-8-14-4-5-16-11;/h2-3,6,11,14H,4-5,7-8,13H2,1H3;1H
InChIKeyYJFPOLBOSNHCMS-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.23
Rot. Bonds3

About 4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride

4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride (PubChem CID 70130204) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride.

Molecular Properties

Compound Name4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride
PubChem CID70130204
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride
SMILESCOc1ccc(N)cc1CC1CNCCO1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-15-12-3-2-10(13)6-9(12)7-11-8-14-4-5-16-11;/h2-3,6,11,14H,4-5,7-8,13H2,1H3;1H
InChIKeyYJFPOLBOSNHCMS-UHFFFAOYSA-N
XLogP1.23
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride?
The IUPAC name of 4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride (CID 70130204) is 4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride.
What is the SMILES notation for 4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride?
The canonical SMILES for 4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride is COc1ccc(N)cc1CC1CNCCO1.Cl.
What is the InChIKey of 4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride?
The InChIKey is YJFPOLBOSNHCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-15-12-3-2-10(13)6-9(12)7-11-8-14-4-5-16-11;/h2-3,6,11,14H,4-5,7-8,13H2,1H3;1H.
What are the key properties of 4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride?
4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride is sourced from PubChem (CID 70130204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).