2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol

C17H16ClNO — CID 150964602

IUPAC2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol
SMILESCN1c2ccccc2C(c2ccccc2)=CCC1(O)Cl
InChIInChI=1S/C17H16ClNO/c1-19-16-10-6-5-9-15(16)14(11-12-17(19,18)20)13-7-3-2-4-8-13/h2-11,20H,12H2,1H3
InChIKeyLMUTZAJLFPIGLA-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.84
Rot. Bonds1

About 2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol

2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol (PubChem CID 150964602) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol.

Molecular Properties

Compound Name2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol
PubChem CID150964602
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol
SMILESCN1c2ccccc2C(c2ccccc2)=CCC1(O)Cl
InChIInChI=1S/C17H16ClNO/c1-19-16-10-6-5-9-15(16)14(11-12-17(19,18)20)13-7-3-2-4-8-13/h2-11,20H,12H2,1H3
InChIKeyLMUTZAJLFPIGLA-UHFFFAOYSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 14963015
(4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]
CID 10785134
tert-butyl 2-(2-oxo-5-phenyl-3H-1,2-benzodiazepin-2-ium-1-yl)acetate
CID 54033420
1-methyl-2-phenyl-4H-quinoline
CID 20646525
1,1-dimethyl-6-nitro-4-phenyl-2H-naphthalene
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7-chloro-2-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ol
CID 618303
(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene
CID 11315014
5,6,6-trimethylphenanthridine
CID 153320066
1-methyl-3,4-diphenyl-2H-quinazolin-3-ium
CID 21342236
1-hydroxy-4-phenyl-2H-pyrrol-5-one
CID 67770940
4-phenyl-2H-chromene
CID 11063647
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CID 126568933

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol?
The IUPAC name of 2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol (CID 150964602) is 2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol.
What is the SMILES notation for 2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol?
The canonical SMILES for 2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol is CN1c2ccccc2C(c2ccccc2)=CCC1(O)Cl.
What is the InChIKey of 2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol?
The InChIKey is LMUTZAJLFPIGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-19-16-10-6-5-9-15(16)14(11-12-17(19,18)20)13-7-3-2-4-8-13/h2-11,20H,12H2,1H3.
What are the key properties of 2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol?
2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol has a molecular weight of 285.77 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-5-phenyl-3H-1-benzazepin-2-ol is sourced from PubChem (CID 150964602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).