7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine

C12H16ClN — CID 24773978

IUPAC7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine
SMILESCC1(C)CNCCc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClN/c1-12(2)8-14-6-5-9-3-4-10(13)7-11(9)12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyVLULSRBHNANFHE-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.76
Rot. Bonds

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

7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine (PubChem CID 24773978) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine
PubChem CID24773978
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine
SMILESCC1(C)CNCCc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClN/c1-12(2)8-14-6-5-9-3-4-10(13)7-11(9)12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyVLULSRBHNANFHE-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine?
The IUPAC name of 7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine (CID 24773978) is 7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine?
The canonical SMILES for 7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine is CC1(C)CNCCc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine?
The InChIKey is VLULSRBHNANFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-12(2)8-14-6-5-9-3-4-10(13)7-11(9)12/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine?
7-chloro-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine has a molecular weight of 209.72 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-5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepine is sourced from PubChem (CID 24773978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).