2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol

C16H26N2O — CID 114336322

IUPAC2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
SMILESCNC1CCCN(CCC(C)(C)O)c2ccccc21
InChIInChI=1S/C16H26N2O/c1-16(2,19)10-12-18-11-6-8-14(17-3)13-7-4-5-9-15(13)18/h4-5,7,9,14,17,19H,6,8,10-12H2,1-3H3
InChIKeyCCXJFBLKHMVCDY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.71
Rot. Bonds4

About 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol

2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol (PubChem CID 114336322) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
PubChem CID114336322
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
SMILESCNC1CCCN(CCC(C)(C)O)c2ccccc21
InChIInChI=1S/C16H26N2O/c1-16(2,19)10-12-18-11-6-8-14(17-3)13-7-4-5-9-15(13)18/h4-5,7,9,14,17,19H,6,8,10-12H2,1-3H3
InChIKeyCCXJFBLKHMVCDY-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol (CID 114336322) is 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol is CNC1CCCN(CCC(C)(C)O)c2ccccc21.
What is the InChIKey of 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol?
The InChIKey is CCXJFBLKHMVCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,19)10-12-18-11-6-8-14(17-3)13-7-4-5-9-15(13)18/h4-5,7,9,14,17,19H,6,8,10-12H2,1-3H3.
What are the key properties of 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol?
2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol is sourced from PubChem (CID 114336322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).