(2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride

C12H18ClNO2 — CID 140833472

IUPAC(2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride
SMILESCc1ccc(C(C)C)cc1OC(=O)CN.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-8(2)10-5-4-9(3)11(6-10)15-12(14)7-13;/h4-6,8H,7,13H2,1-3H3;1H
InChIKeyKHISXLDBOJDFCM-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.40
Rot. Bonds3

About (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride

(2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride (PubChem CID 140833472) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride
PubChem CID140833472
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride
SMILESCc1ccc(C(C)C)cc1OC(=O)CN.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-8(2)10-5-4-9(3)11(6-10)15-12(14)7-13;/h4-6,8H,7,13H2,1-3H3;1H
InChIKeyKHISXLDBOJDFCM-UHFFFAOYSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
CID 165362768
ethyl-dimethyl-[2-(2-methyl-5-propan-2-ylphenoxy)-2-oxoethyl]azanium
CID 163265203
[2-(2-methyl-5-propan-2-ylphenoxy)-2-oxoethyl] 3,5-dihydroxybenzoate
CID 177377379
(2-methyl-5-propan-2-ylphenyl) (3R)-3,4-diphenylbutanoate
CID 141338319
(2-methyl-5-propan-2-ylphenyl) 3-(3,4,5-trimethoxyphenyl)propanoate
CID 68873086
(2-methyl-5-propan-2-ylphenyl) 4-chlorobenzoate
CID 836524
(2-methyl-5-propan-2-ylphenyl) 5-[2-(dimethylamino)ethylamino]-5-oxopentanoate;hydrochloride
CID 155566953
1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 104529321
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride?
The IUPAC name of (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride (CID 140833472) is (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride.
What is the SMILES notation for (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride?
The canonical SMILES for (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride is Cc1ccc(C(C)C)cc1OC(=O)CN.Cl.
What is the InChIKey of (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride?
The InChIKey is KHISXLDBOJDFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-8(2)10-5-4-9(3)11(6-10)15-12(14)7-13;/h4-6,8H,7,13H2,1-3H3;1H.
What are the key properties of (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride?
(2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride is sourced from PubChem (CID 140833472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).