7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

C11H14ClN — CID 84720668

IUPAC7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC1CCc2cc(Cl)ccc2CN1
InChIInChI=1S/C11H14ClN/c1-8-2-3-9-6-11(12)5-4-10(9)7-13-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyZHFBSGDHOHYTPR-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.76
Rot. Bonds

About 7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 84720668) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID84720668
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC1CCc2cc(Cl)ccc2CN1
InChIInChI=1S/C11H14ClN/c1-8-2-3-9-6-11(12)5-4-10(9)7-13-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyZHFBSGDHOHYTPR-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720669
8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84718242
6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720667
3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 10242083
2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
CID 105497348
2-(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid
CID 105483472
5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62374580
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
6-bromo-13-chloro-8-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),6,12,14-tetraene
CID 142002965
2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene
CID 90898481
6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115057058
(3S)-6-iodo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 131106139

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 84720668) is 7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is CC1CCc2cc(Cl)ccc2CN1.
What is the InChIKey of 7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is ZHFBSGDHOHYTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-2-3-9-6-11(12)5-4-10(9)7-13-8/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of 7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 195.69 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 84720668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).