(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine

C17H28N2O — CID 81373836

IUPAC(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
SMILESCOc1cccc([C@@H](C)NCCC2CCCCN2C)c1
InChIInChI=1S/C17H28N2O/c1-14(15-7-6-9-17(13-15)20-3)18-11-10-16-8-4-5-12-19(16)2/h6-7,9,13-14,16,18H,4-5,8,10-12H2,1-3H3/t14-,16?/m1/s1
InChIKeyAJGRHHOFVPQWBO-IURRXHLWSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds6

About (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine

(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine (PubChem CID 81373836) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
PubChem CID81373836
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
SMILESCOc1cccc([C@@H](C)NCCC2CCCCN2C)c1
InChIInChI=1S/C17H28N2O/c1-14(15-7-6-9-17(13-15)20-3)18-11-10-16-8-4-5-12-19(16)2/h6-7,9,13-14,16,18H,4-5,8,10-12H2,1-3H3/t14-,16?/m1/s1
InChIKeyAJGRHHOFVPQWBO-IURRXHLWSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976
(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314663
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43102546
(1S)-1-(3-bromophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81381366
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
CID 106025460

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine (CID 81373836) is (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine is COc1cccc([C@@H](C)NCCC2CCCCN2C)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine?
The InChIKey is AJGRHHOFVPQWBO-IURRXHLWSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(15-7-6-9-17(13-15)20-3)18-11-10-16-8-4-5-12-19(16)2/h6-7,9,13-14,16,18H,4-5,8,10-12H2,1-3H3/t14-,16?/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine?
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81373836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).