N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline

C14H19BrN2 — CID 62553951

IUPACN-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline
SMILESBrc1ccccc1NCCN1CC2CCC1C2
InChIInChI=1S/C14H19BrN2/c15-13-3-1-2-4-14(13)16-7-8-17-10-11-5-6-12(17)9-11/h1-4,11-12,16H,5-10H2
InChIKeyCXCQKTROKDHQDP-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.35
Rot. Bonds4

About N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline

N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline (PubChem CID 62553951) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline.

Molecular Properties

Compound NameN-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline
PubChem CID62553951
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC NameN-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline
SMILESBrc1ccccc1NCCN1CC2CCC1C2
InChIInChI=1S/C14H19BrN2/c15-13-3-1-2-4-14(13)16-7-8-17-10-11-5-6-12(17)9-11/h1-4,11-12,16H,5-10H2
InChIKeyCXCQKTROKDHQDP-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 62629948
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]-2-bromoaniline
CID 82752272
2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline
CID 62561906
2-bromo-N-[2-(3-methylmorpholin-4-yl)ethyl]aniline
CID 62561525
2-bromo-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]aniline
CID 114540351
2-bromo-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]aniline
CID 63167626
2-bromo-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692439
2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline
CID 62560115
N-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-2-bromoaniline
CID 62558941
N-[2-(azocan-1-yl)ethyl]-2-bromoaniline
CID 55194723
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788
2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62573893

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline?
The IUPAC name of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline (CID 62553951) is N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline.
What is the SMILES notation for N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline?
The canonical SMILES for N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline is Brc1ccccc1NCCN1CC2CCC1C2.
What is the InChIKey of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline?
The InChIKey is CXCQKTROKDHQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c15-13-3-1-2-4-14(13)16-7-8-17-10-11-5-6-12(17)9-11/h1-4,11-12,16H,5-10H2.
What are the key properties of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline?
N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline has a molecular weight of 295.22 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline is sourced from PubChem (CID 62553951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).