ethyl N-[(3,4-diaminophenyl)methyl]carbamate

C10H15N3O2 — CID 130366044

IUPACethyl N-[(3,4-diaminophenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(N)c(N)c1
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)13-6-7-3-4-8(11)9(12)5-7/h3-5H,2,6,11-12H2,1H3,(H,13,14)
InChIKeyUTYRPMRHMUINGV-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.10
Rot. Bonds3

About ethyl N-[(3,4-diaminophenyl)methyl]carbamate

ethyl N-[(3,4-diaminophenyl)methyl]carbamate (PubChem CID 130366044) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl N-[(3,4-diaminophenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3,4-diaminophenyl)methyl]carbamate
PubChem CID130366044
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl N-[(3,4-diaminophenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(N)c(N)c1
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)13-6-7-3-4-8(11)9(12)5-7/h3-5H,2,6,11-12H2,1H3,(H,13,14)
InChIKeyUTYRPMRHMUINGV-UHFFFAOYSA-N
XLogP1.10
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate
CID 58780499
ethyl N-[(4-carbamothioylphenyl)methyl]carbamate
CID 62311623
benzene;ethyl N-benzylcarbamate
CID 67715166
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
ethyl N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)carbamate
CID 110786963
[2-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamic acid
CID 175218190
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
ethyl 2-[(4-aminophenyl)methylamino]-2-oxoacetate
CID 86009834

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3,4-diaminophenyl)methyl]carbamate?
The IUPAC name of ethyl N-[(3,4-diaminophenyl)methyl]carbamate (CID 130366044) is ethyl N-[(3,4-diaminophenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(3,4-diaminophenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(3,4-diaminophenyl)methyl]carbamate is CCOC(=O)NCc1ccc(N)c(N)c1.
What is the InChIKey of ethyl N-[(3,4-diaminophenyl)methyl]carbamate?
The InChIKey is UTYRPMRHMUINGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-10(14)13-6-7-3-4-8(11)9(12)5-7/h3-5H,2,6,11-12H2,1H3,(H,13,14).
What are the key properties of ethyl N-[(3,4-diaminophenyl)methyl]carbamate?
ethyl N-[(3,4-diaminophenyl)methyl]carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3,4-diaminophenyl)methyl]carbamate is sourced from PubChem (CID 130366044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).