3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine

C19H32N2 — CID 63481940

IUPAC3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCN1CC(C)CC(C)C1)c1ccccc1C
InChIInChI=1S/C19H32N2/c1-5-20-19(18-9-7-6-8-17(18)4)10-11-21-13-15(2)12-16(3)14-21/h6-9,15-16,19-20H,5,10-14H2,1-4H3
InChIKeyZNOFMAZTNARENT-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.01
Rot. Bonds6

About 3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine

3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine (PubChem CID 63481940) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
PubChem CID63481940
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCN1CC(C)CC(C)C1)c1ccccc1C
InChIInChI=1S/C19H32N2/c1-5-20-19(18-9-7-6-8-17(18)4)10-11-21-13-15(2)12-16(3)14-21/h6-9,15-16,19-20H,5,10-14H2,1-4H3
InChIKeyZNOFMAZTNARENT-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63493793
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537943
3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63495682
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine
CID 62630064
N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 63624425
3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63218029
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 16795154
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64744360

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine (CID 63481940) is 3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine is CCNC(CCN1CC(C)CC(C)C1)c1ccccc1C.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The InChIKey is ZNOFMAZTNARENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-20-19(18-9-7-6-8-17(18)4)10-11-21-13-15(2)12-16(3)14-21/h6-9,15-16,19-20H,5,10-14H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 63481940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).