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

C19H23N — CID 101460629

IUPAC5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCc1ccc(N2CCC(C)c3cc(C)ccc3C2)cc1
InChIInChI=1S/C19H23N/c1-14-5-8-18(9-6-14)20-11-10-16(3)19-12-15(2)4-7-17(19)13-20/h4-9,12,16H,10-11,13H2,1-3H3
InChIKeySESCLCRYZDGDLT-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.82
Rot. Bonds1

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

5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 101460629) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID101460629
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCc1ccc(N2CCC(C)c3cc(C)ccc3C2)cc1
InChIInChI=1S/C19H23N/c1-14-5-8-18(9-6-14)20-11-10-16(3)19-12-15(2)4-7-17(19)13-20/h4-9,12,16H,10-11,13H2,1-3H3
InChIKeySESCLCRYZDGDLT-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 101460622
6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine
CID 163872656
4,6-dimethyl-2-(5-methyl-7-azabicyclo[4.1.0]hepta-1(6),2,4-trien-3-yl)-3,4-dihydro-1H-isoquinoline
CID 176950570
(1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline
CID 102162097
2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 24810857
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene
CID 162687974
2-[1-(4-methylphenyl)piperidin-4-yl]acetonitrile
CID 117003604
3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one
CID 142181890
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
(4S)-4,6-dimethyl-3,4-dihydro-1H-isochromene
CID 134221484
4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole
CID 10752373

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine (CID 101460629) is 5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine is Cc1ccc(N2CCC(C)c3cc(C)ccc3C2)cc1.
What is the InChIKey of 5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is SESCLCRYZDGDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14-5-8-18(9-6-14)20-11-10-16(3)19-12-15(2)4-7-17(19)13-20/h4-9,12,16H,10-11,13H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine?
5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 265.40 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 101460629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).