2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline

C14H22N2O2 — CID 115413796

IUPAC2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
SMILESCCC1CN(Cc2cc(OC)ccc2N)CCO1
InChIInChI=1S/C14H22N2O2/c1-3-12-10-16(6-7-18-12)9-11-8-13(17-2)4-5-14(11)15/h4-5,8,12H,3,6-7,9-10,15H2,1-2H3
InChIKeyXSKOHWDIVMSBHH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline

2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline (PubChem CID 115413796) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
PubChem CID115413796
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
SMILESCCC1CN(Cc2cc(OC)ccc2N)CCO1
InChIInChI=1S/C14H22N2O2/c1-3-12-10-16(6-7-18-12)9-11-8-13(17-2)4-5-14(11)15/h4-5,8,12H,3,6-7,9-10,15H2,1-2H3
InChIKeyXSKOHWDIVMSBHH-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol
CID 34894357
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433098
2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
[2-(2-ethylmorpholin-4-yl)-4-methoxyphenyl]methanamine
CID 81299705
4-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine
CID 74247681
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 115414111
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182229

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline?
The IUPAC name of 2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline (CID 115413796) is 2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline.
What is the SMILES notation for 2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline?
The canonical SMILES for 2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline is CCC1CN(Cc2cc(OC)ccc2N)CCO1.
What is the InChIKey of 2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline?
The InChIKey is XSKOHWDIVMSBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-10-16(6-7-18-12)9-11-8-13(17-2)4-5-14(11)15/h4-5,8,12H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of 2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline?
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline has a molecular weight of 250.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline is sourced from PubChem (CID 115413796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).