2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid

C17H28N2O2 — CID 107426146

IUPAC2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
SMILESCC(C)c1ccc(C(C)N(CCN(C)C)CC(=O)O)cc1
InChIInChI=1S/C17H28N2O2/c1-13(2)15-6-8-16(9-7-15)14(3)19(12-17(20)21)11-10-18(4)5/h6-9,13-14H,10-12H2,1-5H3,(H,20,21)
InChIKeyYUUFBEDCNLBKCY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid (PubChem CID 107426146) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
PubChem CID107426146
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
SMILESCC(C)c1ccc(C(C)N(CCN(C)C)CC(=O)O)cc1
InChIInChI=1S/C17H28N2O2/c1-13(2)15-6-8-16(9-7-15)14(3)19(12-17(20)21)11-10-18(4)5/h6-9,13-14H,10-12H2,1-5H3,(H,20,21)
InChIKeyYUUFBEDCNLBKCY-UHFFFAOYSA-N
XLogP2.82
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid
CID 107426164
2-[1-(2,6-dihydroxyphenyl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107711650
2-[1-(5-bromofuran-2-yl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426260
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65057052
2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
CID 107426423
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid
CID 107426247
2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
CID 39352014
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid (CID 107426146) is 2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid is CC(C)c1ccc(C(C)N(CCN(C)C)CC(=O)O)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
The InChIKey is YUUFBEDCNLBKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)15-6-8-16(9-7-15)14(3)19(12-17(20)21)11-10-18(4)5/h6-9,13-14H,10-12H2,1-5H3,(H,20,21).
What are the key properties of 2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid has a molecular weight of 292.42 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 107426146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).