5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline

C14H15BrClNO — CID 63478098

IUPAC5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
SMILESCc1cc(C(C)Nc2cc(Br)ccc2Cl)c(C)o1
InChIInChI=1S/C14H15BrClNO/c1-8-6-12(10(3)18-8)9(2)17-14-7-11(15)4-5-13(14)16/h4-7,9,17H,1-3H3
InChIKeyAJGZLDRSGSECKP-UHFFFAOYSA-N
MW328.64 g/mol
LogP5.49
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline

5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline (PubChem CID 63478098) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
PubChem CID63478098
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC Name5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
SMILESCc1cc(C(C)Nc2cc(Br)ccc2Cl)c(C)o1
InChIInChI=1S/C14H15BrClNO/c1-8-6-12(10(3)18-8)9(2)17-14-7-11(15)4-5-13(14)16/h4-7,9,17H,1-3H3
InChIKeyAJGZLDRSGSECKP-UHFFFAOYSA-N
XLogP5.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.64
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide
CID 43679591
5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
CID 63478769
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline
CID 114256989
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 115511628
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
CID 43121314
N-[(5-bromo-2-chlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503979
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
CID 112690448
3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine
CID 55145854

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline?
The IUPAC name of 5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline (CID 63478098) is 5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline is Cc1cc(C(C)Nc2cc(Br)ccc2Cl)c(C)o1.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline?
The InChIKey is AJGZLDRSGSECKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-8-6-12(10(3)18-8)9(2)17-14-7-11(15)4-5-13(14)16/h4-7,9,17H,1-3H3.
What are the key properties of 5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline?
5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline has a molecular weight of 328.64 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline is sourced from PubChem (CID 63478098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).