3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol

C16H26N2O2 — CID 111422027

IUPAC3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
SMILESCC(C)C(O)CNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)16(19)12-17-11-14-3-5-15(6-4-14)18-7-9-20-10-8-18/h3-6,13,16-17,19H,7-12H2,1-2H3
InChIKeyGLLVPRUAWYMUFK-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.63
Rot. Bonds6

About 3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol

3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol (PubChem CID 111422027) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
PubChem CID111422027
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
SMILESCC(C)C(O)CNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)16(19)12-17-11-14-3-5-15(6-4-14)18-7-9-20-10-8-18/h3-6,13,16-17,19H,7-12H2,1-2H3
InChIKeyGLLVPRUAWYMUFK-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 115630567
2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
1,1-difluoro-3-[(4-pyrrolidin-1-ylphenyl)methylamino]propan-2-ol
CID 103731452
(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
CID 93082442
4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
CID 103700842
(1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol
CID 95579560
4-(4-ethylphenyl)morpholine
CID 20576442
2-methyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 112722137
(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
CID 115629182
(1R)-1-(furan-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 81391853
3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol
CID 103708001

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol?
The IUPAC name of 3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol (CID 111422027) is 3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol is CC(C)C(O)CNCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol?
The InChIKey is GLLVPRUAWYMUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)16(19)12-17-11-14-3-5-15(6-4-14)18-7-9-20-10-8-18/h3-6,13,16-17,19H,7-12H2,1-2H3.
What are the key properties of 3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol?
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 111422027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).