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

C17H28N2O2 — CID 103700842

IUPAC4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
SMILESCC(C)C(CCO)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)17(7-10-20)18-13-15-3-5-16(6-4-15)19-8-11-21-12-9-19/h3-6,14,17-18,20H,7-13H2,1-2H3
InChIKeyBMZSXGINGPUOIF-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.02
Rot. Bonds7

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

4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol (PubChem CID 103700842) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
PubChem CID103700842
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
SMILESCC(C)C(CCO)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)17(7-10-20)18-13-15-3-5-16(6-4-15)19-8-11-21-12-9-19/h3-6,14,17-18,20H,7-13H2,1-2H3
InChIKeyBMZSXGINGPUOIF-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.02
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

4-(Morpholinomethyl)aniline
CID 776851
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
4-Morpholinobenzylamine
CID 2776458
(R)-2-amino-3-(4-octylphenylamino)propan-1-ol
CID 45255203
(R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897482
Morpholine, 4-(p-anilinobenzyl)-
CID 100777
Ethanol, 2-(4-methylphenyl)amino-
CID 220008
Cambridge id 5261269
CID 2838100
N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
CID 3830898
2-[4-(4-Methylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925826
N-(4-{[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl}phenyl)acetamide
CID 16188588
N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine
CID 45488923

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol (CID 103700842) is 4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol is CC(C)C(CCO)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol?
The InChIKey is BMZSXGINGPUOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)17(7-10-20)18-13-15-3-5-16(6-4-15)19-8-11-21-12-9-19/h3-6,14,17-18,20H,7-13H2,1-2H3.
What are the key properties of 4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol?
4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 103700842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).