2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate

C12H18N2O2 — CID 83210925

IUPAC2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
SMILESCc1ccc(C)c(CNCCOC(N)=O)c1
InChIInChI=1S/C12H18N2O2/c1-9-3-4-10(2)11(7-9)8-14-5-6-16-12(13)15/h3-4,7,14H,5-6,8H2,1-2H3,(H2,13,15)
InChIKeyFPBRWJXVWHFYCL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.49
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate

2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate (PubChem CID 83210925) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
PubChem CID83210925
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
SMILESCc1ccc(C)c(CNCCOC(N)=O)c1
InChIInChI=1S/C12H18N2O2/c1-9-3-4-10(2)11(7-9)8-14-5-6-16-12(13)15/h3-4,7,14H,5-6,8H2,1-2H3,(H2,13,15)
InChIKeyFPBRWJXVWHFYCL-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylphenyl)methylamino]ethylurea
CID 83111203
ethyl 3-[(2,5-dimethylphenyl)methylamino]propanoate
CID 23052926
methyl 2-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577
2-[(3-chloro-4-methylphenyl)methylamino]ethyl carbamate
CID 106817060
1-amino-3-[(2,5-dimethylphenyl)methyl]urea
CID 115192596
5-[(2,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219012
2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
CID 83210035
2-[(2,5-dimethylphenyl)methylamino]oxyacetamide
CID 112672460
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
2-(2,4-dimethylphenyl)ethyl carbamate
CID 123427544
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide
CID 114231448
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate
CID 83210014

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate (CID 83210925) is 2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate is Cc1ccc(C)c(CNCCOC(N)=O)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate?
The InChIKey is FPBRWJXVWHFYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-3-4-10(2)11(7-9)8-14-5-6-16-12(13)15/h3-4,7,14H,5-6,8H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate?
2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate has a molecular weight of 222.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate is sourced from PubChem (CID 83210925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).