3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol

C17H28N2O2 — CID 103708001

IUPAC3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol
SMILESCC(C)(CCO)CNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H28N2O2/c1-17(2,7-10-20)14-18-13-15-3-5-16(6-4-15)19-8-11-21-12-9-19/h3-6,18,20H,7-14H2,1-2H3
InChIKeySGJKPBURAPIONV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.02
Rot. Bonds7

About 3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol

3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol (PubChem CID 103708001) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol
PubChem CID103708001
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol
SMILESCC(C)(CCO)CNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H28N2O2/c1-17(2,7-10-20)14-18-13-15-3-5-16(6-4-15)19-8-11-21-12-9-19/h3-6,18,20H,7-14H2,1-2H3
InChIKeySGJKPBURAPIONV-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-[[4-(azepan-1-yl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
CID 111470651
3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol
CID 111470717
1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440525
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027
1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol
CID 126825509
(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
CID 93082442
N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 103707998
(4-morpholin-4-ylphenyl)methanol
CID 2776456
4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
CID 103700842
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
CID 115629182

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol (CID 103708001) is 3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol is CC(C)(CCO)CNCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol?
The InChIKey is SGJKPBURAPIONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,7-10-20)14-18-13-15-3-5-16(6-4-15)19-8-11-21-12-9-19/h3-6,18,20H,7-14H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol?
3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-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 3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 103708001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).