2-butoxy-N-(2-morpholin-4-ylethyl)aniline

C16H26N2O2 — CID 54806988

IUPAC2-butoxy-N-(2-morpholin-4-ylethyl)aniline
SMILESCCCCOc1ccccc1NCCN1CCOCC1
InChIInChI=1S/C16H26N2O2/c1-2-3-12-20-16-7-5-4-6-15(16)17-8-9-18-10-13-19-14-11-18/h4-7,17H,2-3,8-14H2,1H3
InChIKeyXEZCCMCEPLZDBX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.61
Rot. Bonds8

About 2-butoxy-N-(2-morpholin-4-ylethyl)aniline

2-butoxy-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 54806988) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-butoxy-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-butoxy-N-(2-morpholin-4-ylethyl)aniline
PubChem CID54806988
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-butoxy-N-(2-morpholin-4-ylethyl)aniline
SMILESCCCCOc1ccccc1NCCN1CCOCC1
InChIInChI=1S/C16H26N2O2/c1-2-3-12-20-16-7-5-4-6-15(16)17-8-9-18-10-13-19-14-11-18/h4-7,17H,2-3,8-14H2,1H3
InChIKeyXEZCCMCEPLZDBX-UHFFFAOYSA-N
XLogP2.61
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-(2-morpholin-4-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine
CID 54809931
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
4-(2-butoxyanilino)butan-1-ol
CID 54803446
3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
CID 134108728
2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline
CID 43388034
4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045923

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 2-butoxy-N-(2-morpholin-4-ylethyl)aniline (CID 54806988) is 2-butoxy-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 2-butoxy-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 2-butoxy-N-(2-morpholin-4-ylethyl)aniline is CCCCOc1ccccc1NCCN1CCOCC1.
What is the InChIKey of 2-butoxy-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is XEZCCMCEPLZDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-12-20-16-7-5-4-6-15(16)17-8-9-18-10-13-19-14-11-18/h4-7,17H,2-3,8-14H2,1H3.
What are the key properties of 2-butoxy-N-(2-morpholin-4-ylethyl)aniline?
2-butoxy-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 278.40 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 54806988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).