(4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine

C12H15N — CID 126754492

IUPAC(4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine
SMILESCC[C@H]1C=c2ccccc2=NCC1
InChIInChI=1S/C12H15N/c1-2-10-7-8-13-12-6-4-3-5-11(12)9-10/h3-6,9-10H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyPEZXWYFNKCTARY-SNVBAGLBSA-N
MW173.26 g/mol
LogP1.52
Rot. Bonds1

About (4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine

(4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine (PubChem CID 126754492) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine.

Molecular Properties

Compound Name(4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine
PubChem CID126754492
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine
SMILESCC[C@H]1C=c2ccccc2=NCC1
InChIInChI=1S/C12H15N/c1-2-10-7-8-13-12-6-4-3-5-11(12)9-10/h3-6,9-10H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyPEZXWYFNKCTARY-SNVBAGLBSA-N
XLogP1.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine?
The IUPAC name of (4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine (CID 126754492) is (4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine.
What is the SMILES notation for (4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine?
The canonical SMILES for (4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine is CC[C@H]1C=c2ccccc2=NCC1.
What is the InChIKey of (4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine?
The InChIKey is PEZXWYFNKCTARY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N/c1-2-10-7-8-13-12-6-4-3-5-11(12)9-10/h3-6,9-10H,2,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine?
(4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine has a molecular weight of 173.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-3,4-dihydro-2H-1-benzazepine is sourced from PubChem (CID 126754492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).