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

C18H21N — CID 129223538

IUPAC7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine
SMILESCc1cccc(N2CCc3ccc(C)cc3CC2)c1
InChIInChI=1S/C18H21N/c1-14-4-3-5-18(13-14)19-10-8-16-7-6-15(2)12-17(16)9-11-19/h3-7,12-13H,8-11H2,1-2H3
InChIKeyABBWLRCGIUODPV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.91
Rot. Bonds1

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

7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 129223538) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID129223538
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine
SMILESCc1cccc(N2CCc3ccc(C)cc3CC2)c1
InChIInChI=1S/C18H21N/c1-14-4-3-5-18(13-14)19-10-8-16-7-6-15(2)12-17(16)9-11-19/h3-7,12-13H,8-11H2,1-2H3
InChIKeyABBWLRCGIUODPV-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
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1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-(3-methylphenyl)piperidine;propane
CID 143942273
1,1-dimethyl-4-(3-methylphenyl)piperazin-1-ium iodide
CID 11099608
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 112722053
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone
CID 112978210
2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetonitrile
CID 6926354
4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 154829084
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine (CID 129223538) is 7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine is Cc1cccc(N2CCc3ccc(C)cc3CC2)c1.
What is the InChIKey of 7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is ABBWLRCGIUODPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14-4-3-5-18(13-14)19-10-8-16-7-6-15(2)12-17(16)9-11-19/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine?
7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 251.37 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 129223538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).