1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine

C16H25ClN2O — CID 62911050

IUPAC1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-13(18-2)14-6-7-16(15(17)12-14)20-11-10-19-8-4-3-5-9-19/h6-7,12-13,18H,3-5,8-11H2,1-2H3
InChIKeyDSNVACMKSBJKMO-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.49
Rot. Bonds6

About 1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine

1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine (PubChem CID 62911050) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
PubChem CID62911050
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-13(18-2)14-6-7-16(15(17)12-14)20-11-10-19-8-4-3-5-9-19/h6-7,12-13,18H,3-5,8-11H2,1-2H3
InChIKeyDSNVACMKSBJKMO-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
CID 61493746
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954132
6-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702855
(1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 78938265
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740312
1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine
CID 102999983
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-N-methylethanamine
CID 62912780
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694801
1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
CID 10852867

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine (CID 62911050) is 1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCN2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine?
The InChIKey is DSNVACMKSBJKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-13(18-2)14-6-7-16(15(17)12-14)20-11-10-19-8-4-3-5-9-19/h6-7,12-13,18H,3-5,8-11H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine?
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 62911050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).