4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline

C17H17BrClN — CID 43347187

IUPAC4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17BrClN/c1-11(20-17-8-7-15(18)10-16(17)19)13-6-5-12-3-2-4-14(12)9-13/h5-11,20H,2-4H2,1H3
InChIKeyBXIPZWVACVEPPI-UHFFFAOYSA-N
MW350.69 g/mol
LogP5.76
Rot. Bonds3

About 4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline

4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline (PubChem CID 43347187) has the molecular formula C17H17BrClN and a molecular weight of 350.69 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
PubChem CID43347187
Molecular FormulaC17H17BrClN
Molecular Weight350.69 g/mol
Exact Mass349.02
IUPAC Name4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17BrClN/c1-11(20-17-8-7-15(18)10-16(17)19)13-6-5-12-3-2-4-14(12)9-13/h5-11,20H,2-4H2,1H3
InChIKeyBXIPZWVACVEPPI-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.69
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-iodo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63445713
5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
CID 43555233
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
CID 43100834
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroaniline
CID 43774920

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline?
The IUPAC name of 4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline (CID 43347187) is 4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline is CC(Nc1ccc(Br)cc1Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline?
The InChIKey is BXIPZWVACVEPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN/c1-11(20-17-8-7-15(18)10-16(17)19)13-6-5-12-3-2-4-14(12)9-13/h5-11,20H,2-4H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline?
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline has a molecular weight of 350.69 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline is sourced from PubChem (CID 43347187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).