4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

C16H21BrCl2N2 — CID 79539499

IUPAC4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NC1CCCCC1C1CCCN1
InChIInChI=1S/C16H21BrCl2N2/c17-10-8-12(18)16(13(19)9-10)21-15-5-2-1-4-11(15)14-6-3-7-20-14/h8-9,11,14-15,20-21H,1-7H2
InChIKeyLEKVUVONGVZFNS-UHFFFAOYSA-N
MW392.17 g/mol
LogP5.48
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (PubChem CID 79539499) has the molecular formula C16H21BrCl2N2 and a molecular weight of 392.17 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
PubChem CID79539499
Molecular FormulaC16H21BrCl2N2
Molecular Weight392.17 g/mol
Exact Mass390.03
IUPAC Name4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NC1CCCCC1C1CCCN1
InChIInChI=1S/C16H21BrCl2N2/c17-10-8-12(18)16(13(19)9-10)21-15-5-2-1-4-11(15)14-6-3-7-20-14/h8-9,11,14-15,20-21H,1-7H2
InChIKeyLEKVUVONGVZFNS-UHFFFAOYSA-N
XLogP5.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.17
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 83078172
2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543746
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
2,4,6-trimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536673
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107582137
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107597064
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 103478265
2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79540376
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107787547

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (CID 79539499) is 4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is Clc1cc(Br)cc(Cl)c1NC1CCCCC1C1CCCN1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The InChIKey is LEKVUVONGVZFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrCl2N2/c17-10-8-12(18)16(13(19)9-10)21-15-5-2-1-4-11(15)14-6-3-7-20-14/h8-9,11,14-15,20-21H,1-7H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline has a molecular weight of 392.17 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is sourced from PubChem (CID 79539499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).