(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine

C16H17N — CID 125481085

IUPAC(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESc1ccc([C@H]2CCc3ccccc3NC2)cc1
InChIInChI=1S/C16H17N/c1-2-6-13(7-3-1)15-11-10-14-8-4-5-9-16(14)17-12-15/h1-9,15,17H,10-12H2/t15-/m0/s1
InChIKeyWOICQCHLQFKRQT-HNNXBMFYSA-N
MW223.32 g/mol
LogP3.83
Rot. Bonds1

About (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine

(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 125481085) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID125481085
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESc1ccc([C@H]2CCc3ccccc3NC2)cc1
InChIInChI=1S/C16H17N/c1-2-6-13(7-3-1)15-11-10-14-8-4-5-9-16(14)17-12-15/h1-9,15,17H,10-12H2/t15-/m0/s1
InChIKeyWOICQCHLQFKRQT-HNNXBMFYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine with MolForge

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Related Compounds

(3S)-8-chloro-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 125481104
3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84717070
3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
CID 101408194
3-phenylsulfanyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314427
(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 124681115
3-cyclohexylsulfonyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 106513084
1,2,2a,3,4,5-hexahydrobenzo[cd]indole
CID 21476735
1,2,3,4,5,6-hexahydro-1-benzazocin-3-ylcarbamic acid
CID 155145512
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314140
3-(4-methyl-1,4-diazepan-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103313979
N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314121
3-(2,2-difluoroethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314400

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 125481085) is (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine is c1ccc([C@H]2CCc3ccccc3NC2)cc1.
What is the InChIKey of (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is WOICQCHLQFKRQT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-6-13(7-3-1)15-11-10-14-8-4-5-9-16(14)17-12-15/h1-9,15,17H,10-12H2/t15-/m0/s1.
What are the key properties of (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 223.32 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 125481085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).