2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine

C20H24N2 — CID 162625354

IUPAC2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESc1ccc(N2CCC(N3CCCc4ccccc4C3)C2)cc1
InChIInChI=1S/C20H24N2/c1-2-10-19(11-3-1)22-14-12-20(16-22)21-13-6-9-17-7-4-5-8-18(17)15-21/h1-5,7-8,10-11,20H,6,9,12-16H2
InChIKeyAUDPREPAIQQCIJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.71
Rot. Bonds2

About 2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine

2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 162625354) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID162625354
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESc1ccc(N2CCC(N3CCCc4ccccc4C3)C2)cc1
InChIInChI=1S/C20H24N2/c1-2-10-19(11-3-1)22-14-12-20(16-22)21-13-6-9-17-7-4-5-8-18(17)15-21/h1-5,7-8,10-11,20H,6,9,12-16H2
InChIKeyAUDPREPAIQQCIJ-UHFFFAOYSA-N
XLogP3.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
CID 141032267
1-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)azepan-2-one
CID 162632577
(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine
CID 131936440
(1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154914596
2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane
CID 126432847
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 124711878
(7aR)-2-[(3S)-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124889829

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine (CID 162625354) is 2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine is c1ccc(N2CCC(N3CCCc4ccccc4C3)C2)cc1.
What is the InChIKey of 2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is AUDPREPAIQQCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-2-10-19(11-3-1)22-14-12-20(16-22)21-13-6-9-17-7-4-5-8-18(17)15-21/h1-5,7-8,10-11,20H,6,9,12-16H2.
What are the key properties of 2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?
2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 292.43 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 162625354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).