2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid

C18H22N2O4 — CID 66781958

IUPAC2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid
SMILESCc1ccc(C(NCCN)(C(=O)O)c2ccc(C)cc2O)c(O)c1
InChIInChI=1S/C18H22N2O4/c1-11-3-5-13(15(21)9-11)18(17(23)24,20-8-7-19)14-6-4-12(2)10-16(14)22/h3-6,9-10,20-22H,7-8,19H2,1-2H3,(H,23,24)
InChIKeyLCLDECHFBJCYOE-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.59
Rot. Bonds6

About 2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid

2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid (PubChem CID 66781958) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid
PubChem CID66781958
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid
SMILESCc1ccc(C(NCCN)(C(=O)O)c2ccc(C)cc2O)c(O)c1
InChIInChI=1S/C18H22N2O4/c1-11-3-5-13(15(21)9-11)18(17(23)24,20-8-7-19)14-6-4-12(2)10-16(14)22/h3-6,9-10,20-22H,7-8,19H2,1-2H3,(H,23,24)
InChIKeyLCLDECHFBJCYOE-UHFFFAOYSA-N
XLogP1.59
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
CID 130715029
2-(2-aminoethyl)-5-methylphenol
CID 55254754
3-amino-1-(2-hydroxy-4-methylphenyl)propan-1-one
CID 82600154
5-methyl-2-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 83698360
2-amino-2-(2,5-dimethylphenyl)propanoic acid
CID 24695518
(2S)-2-amino-2-(2-fluoro-5-methylphenyl)propanoic acid
CID 130985670
2-(2-azidoethylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 66188813
[(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate
CID 163086397
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-(2-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 62394143
1-chloro-3-(2-hydroxy-4-methylphenyl)propan-2-one
CID 130895679
[(2S)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] 2-methylpropanoate
CID 162879013

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid?
The IUPAC name of 2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid (CID 66781958) is 2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid is Cc1ccc(C(NCCN)(C(=O)O)c2ccc(C)cc2O)c(O)c1.
What is the InChIKey of 2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid?
The InChIKey is LCLDECHFBJCYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-3-5-13(15(21)9-11)18(17(23)24,20-8-7-19)14-6-4-12(2)10-16(14)22/h3-6,9-10,20-22H,7-8,19H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid?
2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid has a molecular weight of 330.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-2,2-bis(2-hydroxy-4-methylphenyl)acetic acid is sourced from PubChem (CID 66781958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).