2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine

C16H26N2O — CID 107395907

IUPAC2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine
SMILESCOC1(C)CCCN(c2ccc(CCN)c(C)c2)C1
InChIInChI=1S/C16H26N2O/c1-13-11-15(6-5-14(13)7-9-17)18-10-4-8-16(2,12-18)19-3/h5-6,11H,4,7-10,12,17H2,1-3H3
InChIKeyWFPCTHCNWATNLQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds4

About 2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine

2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine (PubChem CID 107395907) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine
PubChem CID107395907
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine
SMILESCOC1(C)CCCN(c2ccc(CCN)c(C)c2)C1
InChIInChI=1S/C16H26N2O/c1-13-11-15(6-5-14(13)7-9-17)18-10-4-8-16(2,12-18)19-3/h5-6,11H,4,7-10,12,17H2,1-3H3
InChIKeyWFPCTHCNWATNLQ-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbenzoic acid
CID 107393006
2-[4-(4-tert-butylpiperazin-1-yl)-2-methylphenyl]ethanamine
CID 63787384
(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
CID 107393087
2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol
CID 107393078
5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylaniline
CID 107390548
2-[2-(3-methoxy-3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 107395888
2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine
CID 63786701
3-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)aniline
CID 107390476
[4-(3,3-difluoropyrrolidin-1-yl)-2-methylphenyl]methanamine
CID 169489232
4-(3-methoxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 107392587
3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766
N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 107393813

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine (CID 107395907) is 2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine is COC1(C)CCCN(c2ccc(CCN)c(C)c2)C1.
What is the InChIKey of 2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine?
The InChIKey is WFPCTHCNWATNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-11-15(6-5-14(13)7-9-17)18-10-4-8-16(2,12-18)19-3/h5-6,11H,4,7-10,12,17H2,1-3H3.
What are the key properties of 2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine?
2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine is sourced from PubChem (CID 107395907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).