2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine

C11H16N2O — CID 43115525

IUPAC2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
SMILESNc1ccccc1NCC1CCCO1
InChIInChI=1S/C11H16N2O/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h1-2,5-6,9,13H,3-4,7-8,12H2
InChIKeyIVWZCXINOWCDRE-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.86
Rot. Bonds3

About 2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine

2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine (PubChem CID 43115525) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
PubChem CID43115525
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
SMILESNc1ccccc1NCC1CCCO1
InChIInChI=1S/C11H16N2O/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h1-2,5-6,9,13H,3-4,7-8,12H2
InChIKeyIVWZCXINOWCDRE-UHFFFAOYSA-N
XLogP1.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-[[(2S)-oxetan-2-yl]methyl]benzene-1,2-diamine
CID 175517445
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
1-(2-aminophenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 131865654
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82835843
6-N-(oxolan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 43115518
2-methyl-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 63062740
4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
3-amino-4-(oxan-2-ylmethylamino)benzoic acid
CID 55013425
2-(aminomethyl)-3-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 70539842
3-amino-N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzamide
CID 133164866
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 82833696
N-(oxolan-2-ylmethyl)-2-prop-2-enylsulfanylaniline
CID 82835441

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine (CID 43115525) is 2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine is Nc1ccccc1NCC1CCCO1.
What is the InChIKey of 2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is IVWZCXINOWCDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h1-2,5-6,9,13H,3-4,7-8,12H2.
What are the key properties of 2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 192.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 43115525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).