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

C19H32N2O — CID 70565270

IUPAC2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine
SMILESCCCCOc1cccc(CC(NC)C2CCCCN2C)c1
InChIInChI=1S/C19H32N2O/c1-4-5-13-22-17-10-8-9-16(14-17)15-18(20-2)19-11-6-7-12-21(19)3/h8-10,14,18-20H,4-7,11-13,15H2,1-3H3
InChIKeyGOMDUWLBKMFTQB-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.48
Rot. Bonds8

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

2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 70565270) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine
PubChem CID70565270
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine
SMILESCCCCOc1cccc(CC(NC)C2CCCCN2C)c1
InChIInChI=1S/C19H32N2O/c1-4-5-13-22-17-10-8-9-16(14-17)15-18(20-2)19-11-6-7-12-21(19)3/h8-10,14,18-20H,4-7,11-13,15H2,1-3H3
InChIKeyGOMDUWLBKMFTQB-UHFFFAOYSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.48
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)-1-(1-methylpiperidin-2-yl)ethanamine
CID 70563834
N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
CID 70565355
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
2-[(3-butoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
CID 110539080
N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine (CID 70565270) is 2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine is CCCCOc1cccc(CC(NC)C2CCCCN2C)c1.
What is the InChIKey of 2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is GOMDUWLBKMFTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-4-5-13-22-17-10-8-9-16(14-17)15-18(20-2)19-11-6-7-12-21(19)3/h8-10,14,18-20H,4-7,11-13,15H2,1-3H3.
What are the key properties of 2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine?
2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 304.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 70565270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).