3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline

C14H22N2O2 — CID 115237844

IUPAC3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
SMILESCCc1cc(NCC2COCCN2)ccc1OC
InChIInChI=1S/C14H22N2O2/c1-3-11-8-12(4-5-14(11)17-2)16-9-13-10-18-7-6-15-13/h4-5,8,13,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyNYFKWVJDOUXZQH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.66
Rot. Bonds5

About 3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline

3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline (PubChem CID 115237844) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
PubChem CID115237844
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
SMILESCCc1cc(NCC2COCCN2)ccc1OC
InChIInChI=1S/C14H22N2O2/c1-3-11-8-12(4-5-14(11)17-2)16-9-13-10-18-7-6-15-13/h4-5,8,13,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyNYFKWVJDOUXZQH-UHFFFAOYSA-N
XLogP1.66
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-4-methoxyphenyl)morpholine-3-carboxamide
CID 115177545
2-methoxy-N-(morpholin-3-ylmethyl)pyridin-4-amine
CID 103549304
4-methoxy-2,3,6-trimethyl-N-(morpholin-3-ylmethyl)aniline
CID 115237900
3-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598
2-methoxy-N-[[(3S)-morpholin-3-yl]methyl]aniline
CID 99962582
3-ethoxy-N-(morpholin-3-ylmethyl)-4-nitroaniline
CID 103549409
3-bromo-4-methoxy-N-(2-morpholin-3-ylethyl)aniline
CID 115238841
N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238006
2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline
CID 115237892
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237891

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline?
The IUPAC name of 3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline (CID 115237844) is 3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline.
What is the SMILES notation for 3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline?
The canonical SMILES for 3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline is CCc1cc(NCC2COCCN2)ccc1OC.
What is the InChIKey of 3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline?
The InChIKey is NYFKWVJDOUXZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11-8-12(4-5-14(11)17-2)16-9-13-10-18-7-6-15-13/h4-5,8,13,15-16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline?
3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline has a molecular weight of 250.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline is sourced from PubChem (CID 115237844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).