8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine

C20H22FN — CID 123862626

IUPAC8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine
SMILESCCc1ccc2c(c1)C=NC(C)C(Cc1cccc(F)c1)C2
InChIInChI=1S/C20H22FN/c1-3-15-7-8-17-12-18(14(2)22-13-19(17)9-15)10-16-5-4-6-20(21)11-16/h4-9,11,13-14,18H,3,10,12H2,1-2H3
InChIKeyKAEXFZLYPIUYOM-UHFFFAOYSA-N
MW295.40 g/mol
LogP4.61
Rot. Bonds3

About 8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine

8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine (PubChem CID 123862626) has the molecular formula C20H22FN and a molecular weight of 295.40 g/mol. Its IUPAC name is 8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine.

Molecular Properties

Compound Name8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine
PubChem CID123862626
Molecular FormulaC20H22FN
Molecular Weight295.40 g/mol
Exact Mass295.17
IUPAC Name8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine
SMILESCCc1ccc2c(c1)C=NC(C)C(Cc1cccc(F)c1)C2
InChIInChI=1S/C20H22FN/c1-3-15-7-8-17-12-18(14(2)22-13-19(17)9-15)10-16-5-4-6-20(21)11-16/h4-9,11,13-14,18H,3,10,12H2,1-2H3
InChIKeyKAEXFZLYPIUYOM-UHFFFAOYSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 118717331
N-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-1-(3-fluorophenyl)methanimine
CID 118717332
5-methyl-4,5-dihydro-3h-2-benzazepine-3-spirocyclohexane N-oxide
CID 2847007
Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,7,8,12b-tetrahydro-
CID 202158
1-(4-fluorophenyl)-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanimine
CID 51032219
7-Methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
CID 90672430
N-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-1-(4-fluorophenyl)methanimine
CID 118717299
1-(4-Fluorophenyl)-5-methyl-3,4-dihydroisoquinoline
CID 12851822
7-Methyl-3,4-dihydroisoquinoline
CID 19748150
1-(4-Fluorophenyl)-7-methyl-3,4-dihydroisoquinoline
CID 78061211
N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-1-[4-(2,2,2-trifluoroethyl)phenyl]methanimine
CID 91408250
1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine
CID 134883922

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine?
The IUPAC name of 8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine (CID 123862626) is 8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine.
What is the SMILES notation for 8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine?
The canonical SMILES for 8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine is CCc1ccc2c(c1)C=NC(C)C(Cc1cccc(F)c1)C2.
What is the InChIKey of 8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine?
The InChIKey is KAEXFZLYPIUYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN/c1-3-15-7-8-17-12-18(14(2)22-13-19(17)9-15)10-16-5-4-6-20(21)11-16/h4-9,11,13-14,18H,3,10,12H2,1-2H3.
What are the key properties of 8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine?
8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine has a molecular weight of 295.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine is sourced from PubChem (CID 123862626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).