2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate

C10H13ClN2O2 — CID 79336918

IUPAC2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCCN)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-7-2-3-8(6-9(7)11)13-10(14)15-5-4-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyUEZDGMKSXKSYKH-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.16
Rot. Bonds3

About 2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate

2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate (PubChem CID 79336918) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate.

Molecular Properties

Compound Name2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
PubChem CID79336918
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCCN)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-7-2-3-8(6-9(7)11)13-10(14)15-5-4-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyUEZDGMKSXKSYKH-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromopropyl N-(3-chloro-4-methylphenyl)carbamate
CID 103970695
2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
CID 138398474
2-aminoethyl N-[3-(2-aminoethoxycarbonylamino)-4-methylphenyl]carbamate;ethane;molecular hydrogen
CID 156808117
[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate
CID 79341773
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
CID 7996910
(6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate
CID 102635586
2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
CID 79337426
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid
CID 63914922

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate?
The IUPAC name of 2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate (CID 79336918) is 2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate.
What is the SMILES notation for 2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate?
The canonical SMILES for 2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCCN)cc1Cl.
What is the InChIKey of 2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate?
The InChIKey is UEZDGMKSXKSYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7-2-3-8(6-9(7)11)13-10(14)15-5-4-12/h2-3,6H,4-5,12H2,1H3,(H,13,14).
What are the key properties of 2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate?
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate has a molecular weight of 228.68 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate is sourced from PubChem (CID 79336918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).