3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine

C19H32N2 — CID 63493793

IUPAC3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCN1CCC(C)CC1C)c1ccccc1C
InChIInChI=1S/C19H32N2/c1-5-20-19(18-9-7-6-8-16(18)3)11-13-21-12-10-15(2)14-17(21)4/h6-9,15,17,19-20H,5,10-14H2,1-4H3
InChIKeyINNLWTPCAKAZDM-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.16
Rot. Bonds6

About 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine

3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine (PubChem CID 63493793) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
PubChem CID63493793
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCN1CCC(C)CC1C)c1ccccc1C
InChIInChI=1S/C19H32N2/c1-5-20-19(18-9-7-6-8-16(18)3)11-13-21-12-10-15(2)14-17(21)4/h6-9,15,17,19-20H,5,10-14H2,1-4H3
InChIKeyINNLWTPCAKAZDM-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63495682
3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63481940
[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
N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 63624425
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62644751
3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63218029
2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63469493
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 63494884
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine (CID 63493793) is 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine is CCNC(CCN1CCC(C)CC1C)c1ccccc1C.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The InChIKey is INNLWTPCAKAZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-20-19(18-9-7-6-8-16(18)3)11-13-21-12-10-15(2)14-17(21)4/h6-9,15,17,19-20H,5,10-14H2,1-4H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 63493793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).