1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol

C17H28N2O2 — CID 111613392

IUPAC1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)CN(C)C1CCOCC1
InChIInChI=1S/C17H28N2O2/c1-18(12-15-6-4-3-5-7-15)13-17(20)14-19(2)16-8-10-21-11-9-16/h3-7,16-17,20H,8-14H2,1-2H3
InChIKeyVTGUCYAWGOEKEA-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.59
Rot. Bonds7

About 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol

1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol (PubChem CID 111613392) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
PubChem CID111613392
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)CN(C)C1CCOCC1
InChIInChI=1S/C17H28N2O2/c1-18(12-15-6-4-3-5-7-15)13-17(20)14-19(2)16-8-10-21-11-9-16/h3-7,16-17,20H,8-14H2,1-2H3
InChIKeyVTGUCYAWGOEKEA-UHFFFAOYSA-N
XLogP1.59
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol 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

1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
CID 86952535
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
1-[benzyl(methyl)amino]-3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]propan-2-ol
CID 86882558
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide
CID 99785131
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 111565238
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
1-[benzyl(methyl)amino]-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 72897099
2-[2-hydroxy-3-[methyl(oxan-4-yl)amino]propoxy]benzonitrile
CID 43611126
4-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 43611411

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol (CID 111613392) is 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol is CN(Cc1ccccc1)CC(O)CN(C)C1CCOCC1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol?
The InChIKey is VTGUCYAWGOEKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-18(12-15-6-4-3-5-7-15)13-17(20)14-19(2)16-8-10-21-11-9-16/h3-7,16-17,20H,8-14H2,1-2H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol?
1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol is sourced from PubChem (CID 111613392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).