N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C18H21BrN2 — CID 103981009

IUPACN-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC(NC1CCNCc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C18H21BrN2/c1-13(14-6-4-7-16(19)11-14)21-18-9-10-20-12-15-5-2-3-8-17(15)18/h2-8,11,13,18,20-21H,9-10,12H2,1H3
InChIKeyYQIVYACLJGKBPY-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.33
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103981009) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103981009
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC(NC1CCNCc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C18H21BrN2/c1-13(14-6-4-7-16(19)11-14)21-18-9-10-20-12-15-5-2-3-8-17(15)18/h2-8,11,13,18,20-21H,9-10,12H2,1H3
InChIKeyYQIVYACLJGKBPY-UHFFFAOYSA-N
XLogP4.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148988
N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418519
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81382181
N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43768440
5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81369563
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167
N-[1-(3-bromophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43426726
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide
CID 103981826
N-(4-bromo-2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980862
1-N,1-N-dimethyl-3-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)butane-1,3-diamine
CID 103981868
N-[(1S)-1-(3-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 81353260

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103981009) is N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CC(NC1CCNCc2ccccc21)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is YQIVYACLJGKBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-13(14-6-4-7-16(19)11-14)21-18-9-10-20-12-15-5-2-3-8-17(15)18/h2-8,11,13,18,20-21H,9-10,12H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 345.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103981009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).