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

C19H23NO — CID 103960202

IUPAC(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N1CCc2ccccc2CC1
InChIInChI=1S/C19H23NO/c1-2-19(21)17-9-5-6-10-18(17)20-13-11-15-7-3-4-8-16(15)12-14-20/h3-10,19,21H,2,11-14H2,1H3/t19-/m1/s1
InChIKeyYJBPASDFESQJEG-LJQANCHMSA-N
MW281.40 g/mol
LogP3.74
Rot. Bonds3

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

(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol (PubChem CID 103960202) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
PubChem CID103960202
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N1CCc2ccccc2CC1
InChIInChI=1S/C19H23NO/c1-2-19(21)17-9-5-6-10-18(17)20-13-11-15-7-3-4-8-16(15)12-14-20/h3-10,19,21H,2,11-14H2,1H3/t19-/m1/s1
InChIKeyYJBPASDFESQJEG-LJQANCHMSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol
CID 103960120
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1S)-1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-ol
CID 103959688
(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol
CID 113358948
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
(1R)-1-[2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103960079
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol
CID 103960137
(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960112
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
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103959883

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol (CID 103960202) is (1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N1CCc2ccccc2CC1.
What is the InChIKey of (1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol?
The InChIKey is YJBPASDFESQJEG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-19(21)17-9-5-6-10-18(17)20-13-11-15-7-3-4-8-16(15)12-14-20/h3-10,19,21H,2,11-14H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol?
(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol is sourced from PubChem (CID 103960202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).