2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

C14H20BrClN2 — CID 81263405

IUPAC2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1Br)C1CCCN(C)C1
InChIInChI=1S/C14H20BrClN2/c1-10(11-4-3-7-18(2)9-11)17-14-6-5-12(16)8-13(14)15/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyKXVRUOIWGDANET-UHFFFAOYSA-N
MW331.69 g/mol
LogP4.24
Rot. Bonds3

About 2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (PubChem CID 81263405) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
PubChem CID81263405
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1Br)C1CCCN(C)C1
InChIInChI=1S/C14H20BrClN2/c1-10(11-4-3-7-18(2)9-11)17-14-6-5-12(16)8-13(14)15/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyKXVRUOIWGDANET-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
6-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43681754
2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 81263958
2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43307432
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
2-bromo-4-chloro-N-propan-2-ylaniline
CID 58692387
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661
2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline
CID 43307483
N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43690136
4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline
CID 107632479
5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine
CID 60927567
2,5-dichloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 43307449

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (CID 81263405) is 2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is CC(Nc1ccc(Cl)cc1Br)C1CCCN(C)C1.
What is the InChIKey of 2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The InChIKey is KXVRUOIWGDANET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-10(11-4-3-7-18(2)9-11)17-14-6-5-12(16)8-13(14)15/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3.
What are the key properties of 2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline has a molecular weight of 331.69 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 81263405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).