N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine

C15H22BrClN2 — CID 66159561

IUPACN-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(C)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C15H22BrClN2/c1-3-18-10-11-5-4-8-19(2)15(11)13-9-12(17)6-7-14(13)16/h6-7,9,11,15,18H,3-5,8,10H2,1-2H3
InChIKeyLHWREOGFPZWZTI-UHFFFAOYSA-N
MW345.71 g/mol
LogP4.09
Rot. Bonds4

About N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine

N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine (PubChem CID 66159561) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine
PubChem CID66159561
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC NameN-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(C)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C15H22BrClN2/c1-3-18-10-11-5-4-8-19(2)15(11)13-9-12(17)6-7-14(13)16/h6-7,9,11,15,18H,3-5,8,10H2,1-2H3
InChIKeyLHWREOGFPZWZTI-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
CID 66159756
N-[[2-(5-chloro-2-fluorophenyl)-1-methylazepan-3-yl]methyl]ethanamine
CID 114866623
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 66158580
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine
CID 106889430
N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 66159173
[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66159366
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917
N-[[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80551575
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 114866557

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine (CID 66159561) is N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(C)C1c1cc(Cl)ccc1Br.
What is the InChIKey of N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine?
The InChIKey is LHWREOGFPZWZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-3-18-10-11-5-4-8-19(2)15(11)13-9-12(17)6-7-14(13)16/h6-7,9,11,15,18H,3-5,8,10H2,1-2H3.
What are the key properties of N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine?
N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine has a molecular weight of 345.71 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66159561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).