N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine

C17H27ClN2O — CID 107911151

IUPACN-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCCC1CCCCN1C
InChIInChI=1S/C17H27ClN2O/c1-3-19-13-14-7-6-9-16(18)17(14)21-12-10-15-8-4-5-11-20(15)2/h6-7,9,15,19H,3-5,8,10-13H2,1-2H3
InChIKeyWRTQMZCRLGOBFT-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.70
Rot. Bonds7

About N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine

N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 107911151) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID107911151
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCCC1CCCCN1C
InChIInChI=1S/C17H27ClN2O/c1-3-19-13-14-7-6-9-16(18)17(14)21-12-10-15-8-4-5-11-20(15)2/h6-7,9,15,19H,3-5,8,10-13H2,1-2H3
InChIKeyWRTQMZCRLGOBFT-UHFFFAOYSA-N
XLogP3.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911149
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 105075391
N-[[3-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]ethanamine
CID 103409133
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine
CID 112609238
N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 107911121
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 115952890
[1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 114068349

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine (CID 107911151) is N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1cccc(Cl)c1OCCC1CCCCN1C.
What is the InChIKey of N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is WRTQMZCRLGOBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-19-13-14-7-6-9-16(18)17(14)21-12-10-15-8-4-5-11-20(15)2/h6-7,9,15,19H,3-5,8,10-13H2,1-2H3.
What are the key properties of N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 310.87 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 107911151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).