1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine

C14H21ClN2O — CID 116951152

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
SMILESCNC(c1cc(Cl)ccc1OC)C1CCCCN1
InChIInChI=1S/C14H21ClN2O/c1-16-14(12-5-3-4-8-17-12)11-9-10(15)6-7-13(11)18-2/h6-7,9,12,14,16-17H,3-5,8H2,1-2H3
InChIKeyYYAUAANPYACZTJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.75
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine (PubChem CID 116951152) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
PubChem CID116951152
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
SMILESCNC(c1cc(Cl)ccc1OC)C1CCCCN1
InChIInChI=1S/C14H21ClN2O/c1-16-14(12-5-3-4-8-17-12)11-9-10(15)6-7-13(11)18-2/h6-7,9,12,14,16-17H,3-5,8H2,1-2H3
InChIKeyYYAUAANPYACZTJ-UHFFFAOYSA-N
XLogP2.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951150
1-(5-chloro-2-methoxyphenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 104545857
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 113425485
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950896
1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
N-methyl-1-naphthalen-1-yl-1-piperidin-2-ylmethanamine
CID 116951227
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950939
1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951206
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine (CID 116951152) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine is CNC(c1cc(Cl)ccc1OC)C1CCCCN1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
The InChIKey is YYAUAANPYACZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-14(12-5-3-4-8-17-12)11-9-10(15)6-7-13(11)18-2/h6-7,9,12,14,16-17H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 116951152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).