(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate

C11H16N2O2 — CID 82283722

IUPAC(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate
SMILESCc1ccc(C)c(OC(=O)NCCN)c1
InChIInChI=1S/C11H16N2O2/c1-8-3-4-9(2)10(7-8)15-11(14)13-6-5-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyPMWFMPACAJFTCB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.35
Rot. Bonds3

About (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate

(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate (PubChem CID 82283722) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate.

Molecular Properties

Compound Name(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate
PubChem CID82283722
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate
SMILESCc1ccc(C)c(OC(=O)NCCN)c1
InChIInChI=1S/C11H16N2O2/c1-8-3-4-9(2)10(7-8)15-11(14)13-6-5-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyPMWFMPACAJFTCB-UHFFFAOYSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate 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

N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide
CID 84613985
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
(2,4-dimethylphenyl) N-(2-aminopropyl)carbamate
CID 83822855
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate
CID 116819193
(2,5-dimethylphenoxy)methanamine
CID 89376053
(2,4-dimethylphenyl) N-(1-aminopropan-2-yl)carbamate
CID 83822856
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate?
The IUPAC name of (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate (CID 82283722) is (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate.
What is the SMILES notation for (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate?
The canonical SMILES for (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate is Cc1ccc(C)c(OC(=O)NCCN)c1.
What is the InChIKey of (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate?
The InChIKey is PMWFMPACAJFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-3-4-9(2)10(7-8)15-11(14)13-6-5-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate?
(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl) N-(2-aminoethyl)carbamate is sourced from PubChem (CID 82283722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).