2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride

C17H21Cl2N — CID 142634815

IUPAC2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCCc3ccccc3C2)cc1
InChIInChI=1S/C17H19N.2ClH/c1-2-7-15(8-3-1)13-18-12-6-11-16-9-4-5-10-17(16)14-18;;/h1-5,7-10H,6,11-14H2;2*1H
InChIKeyXKMCXVRFRHTVQQ-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.48
Rot. Bonds2

About 2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride

2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride (PubChem CID 142634815) has the molecular formula C17H21Cl2N and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride.

Molecular Properties

Compound Name2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
PubChem CID142634815
Molecular FormulaC17H21Cl2N
Molecular Weight310.27 g/mol
Exact Mass309.11
IUPAC Name2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCCc3ccccc3C2)cc1
InChIInChI=1S/C17H19N.2ClH/c1-2-7-15(8-3-1)13-18-12-6-11-16-9-4-5-10-17(16)14-18;;/h1-5,7-10H,6,11-14H2;2*1H
InChIKeyXKMCXVRFRHTVQQ-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 63457850
1-benzylpiperidin-3-one;hydrate
CID 144851326
1-benzylpiperidin-3-one;ethene
CID 153347429
(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
CID 55027612
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
2-[(5-bromo-3-pyridinyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 115617285
2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 157014112
1-benzylazepane
CID 10954328
3,7,11-tribenzyl-3,7,11-triazabicyclo[11.2.2]heptadeca-1(15),13,16-triene
CID 101181237
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetic acid
CID 54461030
2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 45263090

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride?
The IUPAC name of 2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride (CID 142634815) is 2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride.
What is the SMILES notation for 2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride?
The canonical SMILES for 2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride is Cl.Cl.c1ccc(CN2CCCc3ccccc3C2)cc1.
What is the InChIKey of 2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride?
The InChIKey is XKMCXVRFRHTVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N.2ClH/c1-2-7-15(8-3-1)13-18-12-6-11-16-9-4-5-10-17(16)14-18;;/h1-5,7-10H,6,11-14H2;2*1H.
What are the key properties of 2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride?
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride has a molecular weight of 310.27 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride is sourced from PubChem (CID 142634815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).