(1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol

C19H23NO — CID 103960120

IUPAC(1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCCc2ccccc2C1
InChIInChI=1S/C19H23NO/c1-2-19(21)17-11-5-6-12-18(17)20-13-7-10-15-8-3-4-9-16(15)14-20/h3-6,8-9,11-12,19,21H,2,7,10,13-14H2,1H3/t19-/m0/s1
InChIKeyMTCFTZHAHJWZPJ-IBGZPJMESA-N
MW281.40 g/mol
LogP4.08
Rot. Bonds3

About (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol

(1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol (PubChem CID 103960120) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol
PubChem CID103960120
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCCc2ccccc2C1
InChIInChI=1S/C19H23NO/c1-2-19(21)17-11-5-6-12-18(17)20-13-7-10-15-8-3-4-9-16(15)14-20/h3-6,8-9,11-12,19,21H,2,7,10,13-14H2,1H3/t19-/m0/s1
InChIKeyMTCFTZHAHJWZPJ-IBGZPJMESA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-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

(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
CID 103960202
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol
CID 103960137
1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678826
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
(1S)-1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-ol
CID 103959688
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
(1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol
CID 78938471
(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 103960219
(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol
CID 113358948
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol (CID 103960120) is (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N1CCCc2ccccc2C1.
What is the InChIKey of (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol?
The InChIKey is MTCFTZHAHJWZPJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23NO/c1-2-19(21)17-11-5-6-12-18(17)20-13-7-10-15-8-3-4-9-16(15)14-20/h3-6,8-9,11-12,19,21H,2,7,10,13-14H2,1H3/t19-/m0/s1.
What are the key properties of (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol?
(1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 103960120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).