2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine

C16H26N2O — CID 117411189

IUPAC2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine
SMILESCN1CCCC(Oc2ccccc2CC(C)(C)N)C1
InChIInChI=1S/C16H26N2O/c1-16(2,17)11-13-7-4-5-9-15(13)19-14-8-6-10-18(3)12-14/h4-5,7,9,14H,6,8,10-12,17H2,1-3H3
InChIKeyVPTZDMPDMGUNLW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds4

About 2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine

2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine (PubChem CID 117411189) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine
PubChem CID117411189
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine
SMILESCN1CCCC(Oc2ccccc2CC(C)(C)N)C1
InChIInChI=1S/C16H26N2O/c1-16(2,17)11-13-7-4-5-9-15(13)19-14-8-6-10-18(3)12-14/h4-5,7,9,14H,6,8,10-12,17H2,1-3H3
InChIKeyVPTZDMPDMGUNLW-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine
CID 117411224
2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 117095351
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine
CID 117415762
3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride
CID 57497626
1-tert-butyl-3-(2-methylphenoxy)piperidine
CID 18712970
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
3-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444674
1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine
CID 134126069
1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117470886
7-(1-methylpiperidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115075020
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine (CID 117411189) is 2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine is CN1CCCC(Oc2ccccc2CC(C)(C)N)C1.
What is the InChIKey of 2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine?
The InChIKey is VPTZDMPDMGUNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,17)11-13-7-4-5-9-15(13)19-14-8-6-10-18(3)12-14/h4-5,7,9,14H,6,8,10-12,17H2,1-3H3.
What are the key properties of 2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine?
2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine is sourced from PubChem (CID 117411189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).