7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine

C17H18ClN — CID 67380705

IUPAC7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCN1CCc2ccc(-c3cccc(Cl)c3)cc2CC1
InChIInChI=1S/C17H18ClN/c1-19-9-7-13-5-6-15(11-16(13)8-10-19)14-3-2-4-17(18)12-14/h2-6,11-12H,7-10H2,1H3
InChIKeyRZPXLTCBNUJTJI-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.04
Rot. Bonds1

About 7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine

7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 67380705) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID67380705
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCN1CCc2ccc(-c3cccc(Cl)c3)cc2CC1
InChIInChI=1S/C17H18ClN/c1-19-9-7-13-5-6-15(11-16(13)8-10-19)14-3-2-4-17(18)12-14/h2-6,11-12H,7-10H2,1H3
InChIKeyRZPXLTCBNUJTJI-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine (CID 67380705) is 7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine is CN1CCc2ccc(-c3cccc(Cl)c3)cc2CC1.
What is the InChIKey of 7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is RZPXLTCBNUJTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-19-9-7-13-5-6-15(11-16(13)8-10-19)14-3-2-4-17(18)12-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 271.79 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 67380705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).