4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol

C15H23NO — CID 105493498

IUPAC4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol
SMILESCC(O)CCc1ccc2c(c1)CCCN(C)C2
InChIInChI=1S/C15H23NO/c1-12(17)5-6-13-7-8-15-11-16(2)9-3-4-14(15)10-13/h7-8,10,12,17H,3-6,9,11H2,1-2H3
InChIKeyHIDKWBLYRWORFE-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.38
Rot. Bonds3

About 4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol

4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol (PubChem CID 105493498) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol
PubChem CID105493498
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol
SMILESCC(O)CCc1ccc2c(c1)CCCN(C)C2
InChIInChI=1S/C15H23NO/c1-12(17)5-6-13-7-8-15-11-16(2)9-3-4-14(15)10-13/h7-8,10,12,17H,3-6,9,11H2,1-2H3
InChIKeyHIDKWBLYRWORFE-UHFFFAOYSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol
CID 105474725
2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
CID 105445307
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane
CID 155201597
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol
CID 83931756
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol
CID 64515618
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 143655275
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol
CID 105474708
3-methyl-N-(2-methylpropyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 65305015
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
CID 64663973
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol?
The IUPAC name of 4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol (CID 105493498) is 4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol.
What is the SMILES notation for 4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol?
The canonical SMILES for 4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol is CC(O)CCc1ccc2c(c1)CCCN(C)C2.
What is the InChIKey of 4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol?
The InChIKey is HIDKWBLYRWORFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(17)5-6-13-7-8-15-11-16(2)9-3-4-14(15)10-13/h7-8,10,12,17H,3-6,9,11H2,1-2H3.
What are the key properties of 4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol?
4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol is sourced from PubChem (CID 105493498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).