N-[2-(azocan-1-yl)ethyl]-2-bromoaniline

C15H23BrN2 — CID 55194723

IUPACN-[2-(azocan-1-yl)ethyl]-2-bromoaniline
SMILESBrc1ccccc1NCCN1CCCCCCC1
InChIInChI=1S/C15H23BrN2/c16-14-8-4-5-9-15(14)17-10-13-18-11-6-2-1-3-7-12-18/h4-5,8-9,17H,1-3,6-7,10-13H2
InChIKeyFUCXBZSPTKTIFT-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.13
Rot. Bonds4

About N-[2-(azocan-1-yl)ethyl]-2-bromoaniline

N-[2-(azocan-1-yl)ethyl]-2-bromoaniline (PubChem CID 55194723) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[2-(azocan-1-yl)ethyl]-2-bromoaniline.

Molecular Properties

Compound NameN-[2-(azocan-1-yl)ethyl]-2-bromoaniline
PubChem CID55194723
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[2-(azocan-1-yl)ethyl]-2-bromoaniline
SMILESBrc1ccccc1NCCN1CCCCCCC1
InChIInChI=1S/C15H23BrN2/c16-14-8-4-5-9-15(14)17-10-13-18-11-6-2-1-3-7-12-18/h4-5,8-9,17H,1-3,6-7,10-13H2
InChIKeyFUCXBZSPTKTIFT-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline
CID 62560115
2-bromo-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]aniline
CID 63167626
N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
CID 54807239
2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 62574618
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911336
2-bromo-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]aniline
CID 114540351
2-bromo-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692439
2-bromo-N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]aniline
CID 63620691
4-[2-(azepan-1-yl)ethylamino]-3-bromobenzonitrile
CID 82809933
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline
CID 62573949
2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 11437461

Frequently Asked Questions

What is the IUPAC name of N-[2-(azocan-1-yl)ethyl]-2-bromoaniline?
The IUPAC name of N-[2-(azocan-1-yl)ethyl]-2-bromoaniline (CID 55194723) is N-[2-(azocan-1-yl)ethyl]-2-bromoaniline.
What is the SMILES notation for N-[2-(azocan-1-yl)ethyl]-2-bromoaniline?
The canonical SMILES for N-[2-(azocan-1-yl)ethyl]-2-bromoaniline is Brc1ccccc1NCCN1CCCCCCC1.
What is the InChIKey of N-[2-(azocan-1-yl)ethyl]-2-bromoaniline?
The InChIKey is FUCXBZSPTKTIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c16-14-8-4-5-9-15(14)17-10-13-18-11-6-2-1-3-7-12-18/h4-5,8-9,17H,1-3,6-7,10-13H2.
What are the key properties of N-[2-(azocan-1-yl)ethyl]-2-bromoaniline?
N-[2-(azocan-1-yl)ethyl]-2-bromoaniline has a molecular weight of 311.27 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azocan-1-yl)ethyl]-2-bromoaniline is sourced from PubChem (CID 55194723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).