2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline

C16H27N3O2 — CID 82257573

IUPAC2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline
SMILESCCOc1ccc(CCNCCN2CCOCC2)cc1N
InChIInChI=1S/C16H27N3O2/c1-2-21-16-4-3-14(13-15(16)17)5-6-18-7-8-19-9-11-20-12-10-19/h3-4,13,18H,2,5-12,17H2,1H3
InChIKeyLINQNUBFQAMUQX-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.13
Rot. Bonds8

About 2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline

2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline (PubChem CID 82257573) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline.

Molecular Properties

Compound Name2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline
PubChem CID82257573
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline
SMILESCCOc1ccc(CCNCCN2CCOCC2)cc1N
InChIInChI=1S/C16H27N3O2/c1-2-21-16-4-3-14(13-15(16)17)5-6-18-7-8-19-9-11-20-12-10-19/h3-4,13,18H,2,5-12,17H2,1H3
InChIKeyLINQNUBFQAMUQX-UHFFFAOYSA-N
XLogP1.13
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
CID 95408695
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
4-[2-(3-amino-4-ethoxyphenyl)ethyl]piperazine-1-carbaldehyde
CID 82256198
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
CID 82257562
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
CID 82257558
2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
CID 82257448
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline?
The IUPAC name of 2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline (CID 82257573) is 2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline.
What is the SMILES notation for 2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline?
The canonical SMILES for 2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline is CCOc1ccc(CCNCCN2CCOCC2)cc1N.
What is the InChIKey of 2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline?
The InChIKey is LINQNUBFQAMUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-21-16-4-3-14(13-15(16)17)5-6-18-7-8-19-9-11-20-12-10-19/h3-4,13,18H,2,5-12,17H2,1H3.
What are the key properties of 2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline?
2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline has a molecular weight of 293.41 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline is sourced from PubChem (CID 82257573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).