6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine

C14H20FN — CID 114834409

IUPAC6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC1CNC(C(C)C)c2cccc(F)c2C1
InChIInChI=1S/C14H20FN/c1-9(2)14-11-5-4-6-13(15)12(11)7-10(3)8-16-14/h4-6,9-10,14,16H,7-8H2,1-3H3
InChIKeyLAJCNUMVSRFKGN-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.30
Rot. Bonds1

About 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine

6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 114834409) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID114834409
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC1CNC(C(C)C)c2cccc(F)c2C1
InChIInChI=1S/C14H20FN/c1-9(2)14-11-5-4-6-13(15)12(11)7-10(3)8-16-14/h4-6,9-10,14,16H,7-8H2,1-3H3
InChIKeyLAJCNUMVSRFKGN-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 114834409) is 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine is CC1CNC(C(C)C)c2cccc(F)c2C1.
What is the InChIKey of 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is LAJCNUMVSRFKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-9(2)14-11-5-4-6-13(15)12(11)7-10(3)8-16-14/h4-6,9-10,14,16H,7-8H2,1-3H3.
What are the key properties of 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 221.32 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 114834409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).