2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine

C18H30N2 — CID 83972701

IUPAC2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
SMILESCc1ccc(C(CN)C2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C18H30N2/c1-13(2)20-9-7-16(8-10-20)18(12-19)17-6-5-14(3)15(4)11-17/h5-6,11,13,16,18H,7-10,12,19H2,1-4H3
InChIKeyZLQFTDQRLJJCOF-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine

2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine (PubChem CID 83972701) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
PubChem CID83972701
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
SMILESCc1ccc(C(CN)C2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C18H30N2/c1-13(2)20-9-7-16(8-10-20)18(12-19)17-6-5-14(3)15(4)11-17/h5-6,11,13,16,18H,7-10,12,19H2,1-4H3
InChIKeyZLQFTDQRLJJCOF-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 83972711
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 83972707
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene
CID 82077773
3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine
CID 82090320
2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83974722
3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 82079052
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
(1R,5R)-1,5-dicyclopropyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304311

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine (CID 83972701) is 2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine is Cc1ccc(C(CN)C2CCN(C(C)C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The InChIKey is ZLQFTDQRLJJCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)20-9-7-16(8-10-20)18(12-19)17-6-5-14(3)15(4)11-17/h5-6,11,13,16,18H,7-10,12,19H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine?
2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 83972701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).