2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine

C18H30N2O — CID 70563834

IUPAC2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
SMILESCCCCOc1cccc(CC(N)C2CCCCN2C)c1
InChIInChI=1S/C18H30N2O/c1-3-4-12-21-16-9-7-8-15(13-16)14-17(19)18-10-5-6-11-20(18)2/h7-9,13,17-18H,3-6,10-12,14,19H2,1-2H3
InChIKeyXIPPFSOIZITACO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.22
Rot. Bonds7

About 2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine

2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 70563834) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
PubChem CID70563834
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
SMILESCCCCOc1cccc(CC(N)C2CCCCN2C)c1
InChIInChI=1S/C18H30N2O/c1-3-4-12-21-16-9-7-8-15(13-16)14-17(19)18-10-5-6-11-20(18)2/h7-9,13,17-18H,3-6,10-12,14,19H2,1-2H3
InChIKeyXIPPFSOIZITACO-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine
CID 70565270
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
CID 70565355
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
2-[(3-butoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
CID 110539080
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
[2-(3-butoxyphenyl)-1-phenylethyl] carbamate
CID 69173726

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine (CID 70563834) is 2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine is CCCCOc1cccc(CC(N)C2CCCCN2C)c1.
What is the InChIKey of 2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is XIPPFSOIZITACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-4-12-21-16-9-7-8-15(13-16)14-17(19)18-10-5-6-11-20(18)2/h7-9,13,17-18H,3-6,10-12,14,19H2,1-2H3.
What are the key properties of 2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine?
2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 70563834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).