2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine

C11H16N2O — CID 82726024

IUPAC2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
SMILESCC1OCCC1Nc1ccccc1N
InChIInChI=1S/C11H16N2O/c1-8-10(6-7-14-8)13-11-5-3-2-4-9(11)12/h2-5,8,10,13H,6-7,12H2,1H3
InChIKeyDSGBAJSEQVWPDY-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.86
Rot. Bonds2

About 2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine

2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine (PubChem CID 82726024) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
PubChem CID82726024
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
SMILESCC1OCCC1Nc1ccccc1N
InChIInChI=1S/C11H16N2O/c1-8-10(6-7-14-8)13-11-5-3-2-4-9(11)12/h2-5,8,10,13H,6-7,12H2,1H3
InChIKeyDSGBAJSEQVWPDY-UHFFFAOYSA-N
XLogP1.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
CID 104540640
2-methyl-N-(2-methylphenyl)oxolan-3-amine
CID 75525382
(2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine
CID 97358603
3-chloro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 104834789
3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82725530
(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine
CID 97358541
2-methyl-N-(2-propan-2-ylphenyl)oxolan-3-amine
CID 82716606
N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
CID 82727026
2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 112675017
methyl 3-amino-4-[(2-methyloxolan-3-yl)amino]benzoate
CID 82736514
6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine
CID 82725325
2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 82727406

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine (CID 82726024) is 2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine is CC1OCCC1Nc1ccccc1N.
What is the InChIKey of 2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
The InChIKey is DSGBAJSEQVWPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-10(6-7-14-8)13-11-5-3-2-4-9(11)12/h2-5,8,10,13H,6-7,12H2,1H3.
What are the key properties of 2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine has a molecular weight of 192.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 82726024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).