1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol

C13H19NO — CID 105457907

IUPAC1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol
SMILESCC(O)Cc1ccc2c(c1)CCCCN2
InChIInChI=1S/C13H19NO/c1-10(15)8-11-5-6-13-12(9-11)4-2-3-7-14-13/h5-6,9-10,14-15H,2-4,7-8H2,1H3
InChIKeyVHGBBLWNVUJBEF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol

1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol (PubChem CID 105457907) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol
PubChem CID105457907
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol
SMILESCC(O)Cc1ccc2c(c1)CCCCN2
InChIInChI=1S/C13H19NO/c1-10(15)8-11-5-6-13-12(9-11)4-2-3-7-14-13/h5-6,9-10,14-15H,2-4,7-8H2,1H3
InChIKeyVHGBBLWNVUJBEF-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)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

3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol
CID 116997978
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide
CID 82257098
N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine
CID 82255932
2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
CID 39226276
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline
CID 82255906
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-1-amine
CID 43269701
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol?
The IUPAC name of 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol (CID 105457907) is 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol?
The canonical SMILES for 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol is CC(O)Cc1ccc2c(c1)CCCCN2.
What is the InChIKey of 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol?
The InChIKey is VHGBBLWNVUJBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15)8-11-5-6-13-12(9-11)4-2-3-7-14-13/h5-6,9-10,14-15H,2-4,7-8H2,1H3.
What are the key properties of 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol?
1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol is sourced from PubChem (CID 105457907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).