2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine

C16H27N3O — CID 115415033

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(N)CC1CN(C)CCN1C
InChIInChI=1S/C16H27N3O/c1-4-20-16-8-6-5-7-14(16)15(17)11-13-12-18(2)9-10-19(13)3/h5-8,13,15H,4,9-12,17H2,1-3H3
InChIKeyBOHOBNXQZOJXPR-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.72
Rot. Bonds5

About 2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine

2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine (PubChem CID 115415033) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine
PubChem CID115415033
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(N)CC1CN(C)CCN1C
InChIInChI=1S/C16H27N3O/c1-4-20-16-8-6-5-7-14(16)15(17)11-13-12-18(2)9-10-19(13)3/h5-8,13,15H,4,9-12,17H2,1-3H3
InChIKeyBOHOBNXQZOJXPR-UHFFFAOYSA-N
XLogP1.72
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1,4-dimethylpiperazin-2-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 105247174
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine
CID 113305502
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
[2-(1,4-dimethylpiperazin-2-yl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105260096
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol
CID 63896297
2-(2-ethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)acetonitrile
CID 112539891
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989
2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine
CID 116517852
(1S)-1-(2-ethoxyphenyl)but-3-en-1-amine
CID 171221750

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine (CID 115415033) is 2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(N)CC1CN(C)CCN1C.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine?
The InChIKey is BOHOBNXQZOJXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-20-16-8-6-5-7-14(16)15(17)11-13-12-18(2)9-10-19(13)3/h5-8,13,15H,4,9-12,17H2,1-3H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine?
2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 115415033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).