1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine

C14H21ClN2O — CID 62910695

IUPAC1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(16)11-3-4-14(13(15)9-11)18-12-5-7-17(2)8-6-12/h3-4,9-10,12H,5-8,16H2,1-2H3
InChIKeyZSYAVPLGGRULDS-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.83
Rot. Bonds3

About 1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine

1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine (PubChem CID 62910695) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine
PubChem CID62910695
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(16)11-3-4-14(13(15)9-11)18-12-5-7-17(2)8-6-12/h3-4,9-10,12H,5-8,16H2,1-2H3
InChIKeyZSYAVPLGGRULDS-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol
CID 117430111
(1S)-1-[3-chloro-4-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 113389808
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117458481
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
methyl 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-hydroxyacetate
CID 117482639
(1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 63370510
(1S)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937737
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
2-amino-2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]acetic acid
CID 117429830
1-[3-bromo-4-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117459164

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine?
The IUPAC name of 1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine (CID 62910695) is 1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine is CC(N)c1ccc(OC2CCN(C)CC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine?
The InChIKey is ZSYAVPLGGRULDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(16)11-3-4-14(13(15)9-11)18-12-5-7-17(2)8-6-12/h3-4,9-10,12H,5-8,16H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine?
1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 62910695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).