2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine

C17H18BrN — CID 63457850

IUPAC2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
SMILESBrc1ccc(CN2CCCc3ccccc3C2)cc1
InChIInChI=1S/C17H18BrN/c18-17-9-7-14(8-10-17)12-19-11-3-6-15-4-1-2-5-16(15)13-19/h1-2,4-5,7-10H,3,6,11-13H2
InChIKeyNTZOVIGRNQWVSH-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.40
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine

2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 63457850) has the molecular formula C17H18BrN and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID63457850
Molecular FormulaC17H18BrN
Molecular Weight316.24 g/mol
Exact Mass315.06
IUPAC Name2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
SMILESBrc1ccc(CN2CCCc3ccccc3C2)cc1
InChIInChI=1S/C17H18BrN/c18-17-9-7-14(8-10-17)12-19-11-3-6-15-4-1-2-5-16(15)13-19/h1-2,4-5,7-10H,3,6,11-13H2
InChIKeyNTZOVIGRNQWVSH-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
2-[(5-bromo-3-pyridinyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 115617285
2-[(4-bromothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 63152807
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
4-bromo-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)phenol
CID 82979851
1-[(4-bromophenyl)methyl]-N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917777
1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine
CID 174819017
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
2-chloro-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazole
CID 79764594
6-[(4-bromophenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 73212264

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine (CID 63457850) is 2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine is Brc1ccc(CN2CCCc3ccccc3C2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is NTZOVIGRNQWVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN/c18-17-9-7-14(8-10-17)12-19-11-3-6-15-4-1-2-5-16(15)13-19/h1-2,4-5,7-10H,3,6,11-13H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine?
2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 316.24 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 63457850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).