N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine

C18H22N2 — CID 118711269

IUPACN,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
SMILESCNc1ccc2c(c1)C(c1ccccc1)CN(C)CC2
InChIInChI=1S/C18H22N2/c1-19-16-9-8-15-10-11-20(2)13-18(17(15)12-16)14-6-4-3-5-7-14/h3-9,12,18-19H,10-11,13H2,1-2H3
InChIKeyCUSZCLNHUVAVNP-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.35
Rot. Bonds2

About N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine

N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine (PubChem CID 118711269) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine.

Molecular Properties

Compound NameN,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
PubChem CID118711269
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
SMILESCNc1ccc2c(c1)C(c1ccccc1)CN(C)CC2
InChIInChI=1S/C18H22N2/c1-19-16-9-8-15-10-11-20(2)13-18(17(15)12-16)14-6-4-3-5-7-14/h3-9,12,18-19H,10-11,13H2,1-2H3
InChIKeyCUSZCLNHUVAVNP-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine?
The IUPAC name of N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine (CID 118711269) is N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine.
What is the SMILES notation for N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine?
The canonical SMILES for N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine is CNc1ccc2c(c1)C(c1ccccc1)CN(C)CC2.
What is the InChIKey of N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine?
The InChIKey is CUSZCLNHUVAVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-16-9-8-15-10-11-20(2)13-18(17(15)12-16)14-6-4-3-5-7-14/h3-9,12,18-19H,10-11,13H2,1-2H3.
What are the key properties of N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine?
N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine has a molecular weight of 266.39 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine is sourced from PubChem (CID 118711269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).