2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol

C16H26N2O2 — CID 114493123

IUPAC2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol
SMILESCC(C)C(C)(O)CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)16(3,19)12-17-14-4-6-15(7-5-14)18-8-10-20-11-9-18/h4-7,13,17,19H,8-12H2,1-3H3
InChIKeyKGXXMBVABBBNAD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds5

About 2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol

2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol (PubChem CID 114493123) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol
PubChem CID114493123
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol
SMILESCC(C)C(C)(O)CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)16(3,19)12-17-14-4-6-15(7-5-14)18-8-10-20-11-9-18/h4-7,13,17,19H,8-12H2,1-3H3
InChIKeyKGXXMBVABBBNAD-UHFFFAOYSA-N
XLogP2.34
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459
2-methyl-2-[(4-morpholin-4-ylanilino)methyl]butan-1-ol
CID 81411111
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol
CID 63899235
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline
CID 81093843
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol (CID 114493123) is 2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol is CC(C)C(C)(O)CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol?
The InChIKey is KGXXMBVABBBNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)16(3,19)12-17-14-4-6-15(7-5-14)18-8-10-20-11-9-18/h4-7,13,17,19H,8-12H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol?
2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol is sourced from PubChem (CID 114493123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).