2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine

C18H30N2 — CID 103494712

IUPAC2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCC(C(C)C)CC2)c(C)c1
InChIInChI=1S/C18H30N2/c1-13(2)16-7-9-20(10-8-16)18(12-19)17-6-5-14(3)11-15(17)4/h5-6,11,13,16,18H,7-10,12,19H2,1-4H3
InChIKeyZFYKCBXNLASMTM-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.67
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine

2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine (PubChem CID 103494712) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
PubChem CID103494712
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCC(C(C)C)CC2)c(C)c1
InChIInChI=1S/C18H30N2/c1-13(2)16-7-9-20(10-8-16)18(12-19)17-6-5-14(3)11-15(17)4/h5-6,11,13,16,18H,7-10,12,19H2,1-4H3
InChIKeyZFYKCBXNLASMTM-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581276
2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494603
2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62199615
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine
CID 54977844
2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83972813
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624416
2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62134804
2-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 106817440
(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 51656542
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine (CID 103494712) is 2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine is Cc1ccc(C(CN)N2CCC(C(C)C)CC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The InChIKey is ZFYKCBXNLASMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)16-7-9-20(10-8-16)18(12-19)17-6-5-14(3)11-15(17)4/h5-6,11,13,16,18H,7-10,12,19H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 103494712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).