1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine

C17H28N2 — CID 43098495

IUPAC1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
SMILESCc1ccc(C(N)CN2C(C)CCCC2C)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-8-9-16(13(2)10-12)17(18)11-19-14(3)6-5-7-15(19)4/h8-10,14-15,17H,5-7,11,18H2,1-4H3
InChIKeyAPOPSGLGBJMPPK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.57
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine

1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine (PubChem CID 43098495) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
PubChem CID43098495
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
SMILESCc1ccc(C(N)CN2C(C)CCCC2C)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-8-9-16(13(2)10-12)17(18)11-19-14(3)6-5-7-15(19)4/h8-10,14-15,17H,5-7,11,18H2,1-4H3
InChIKeyAPOPSGLGBJMPPK-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882552
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 79937953
2-cyclopentyloxy-1-(2,4-dimethylphenyl)ethanamine
CID 16787189
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301
(2S)-1-(2,4-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 11863217
1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464731
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
CID 83227091

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine (CID 43098495) is 1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine is Cc1ccc(C(N)CN2C(C)CCCC2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is APOPSGLGBJMPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-8-9-16(13(2)10-12)17(18)11-19-14(3)6-5-7-15(19)4/h8-10,14-15,17H,5-7,11,18H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine?
1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 43098495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).