3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline

C14H20BrClN2O — CID 80553337

IUPAC3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline
SMILESCCOc1c(Br)cc(Cl)cc1NCC1CCCNC1
InChIInChI=1S/C14H20BrClN2O/c1-2-19-14-12(15)6-11(16)7-13(14)18-9-10-4-3-5-17-8-10/h6-7,10,17-18H,2-5,8-9H2,1H3
InChIKeyGRTKVOXNHGHUSH-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.91
Rot. Bonds5

About 3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline

3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline (PubChem CID 80553337) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline
PubChem CID80553337
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline
SMILESCCOc1c(Br)cc(Cl)cc1NCC1CCCNC1
InChIInChI=1S/C14H20BrClN2O/c1-2-19-14-12(15)6-11(16)7-13(14)18-9-10-4-3-5-17-8-10/h6-7,10,17-18H,2-5,8-9H2,1H3
InChIKeyGRTKVOXNHGHUSH-UHFFFAOYSA-N
XLogP3.91
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
CID 43690788
N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine
CID 79724544
N-(3-bromo-5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 43690709
3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline
CID 63432002
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 66319233
3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline
CID 106871709
6-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 80553709
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569692
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-oxothian-4-amine
CID 54982002
5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 83961752
6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 86318064
N-benzyl-3-bromo-5-chloro-2-ethoxyaniline
CID 43690745

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline (CID 80553337) is 3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline is CCOc1c(Br)cc(Cl)cc1NCC1CCCNC1.
What is the InChIKey of 3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is GRTKVOXNHGHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c1-2-19-14-12(15)6-11(16)7-13(14)18-9-10-4-3-5-17-8-10/h6-7,10,17-18H,2-5,8-9H2,1H3.
What are the key properties of 3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline?
3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 347.68 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-ethoxy-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 80553337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).