2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride

C10H15ClN2O2 — CID 174705488

IUPAC2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride
SMILESCl.Nc1cccc(N)c1CC1COCO1
InChIInChI=1S/C10H14N2O2.ClH/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-14-7;/h1-3,7H,4-6,11-12H2;1H
InChIKeyAWOQBFOQVAZZQM-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.19
Rot. Bonds2

About 2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride

2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride (PubChem CID 174705488) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride
PubChem CID174705488
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride
SMILESCl.Nc1cccc(N)c1CC1COCO1
InChIInChI=1S/C10H14N2O2.ClH/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-14-7;/h1-3,7H,4-6,11-12H2;1H
InChIKeyAWOQBFOQVAZZQM-UHFFFAOYSA-N
XLogP1.19
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride?
The IUPAC name of 2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride (CID 174705488) is 2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride.
What is the SMILES notation for 2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride?
The canonical SMILES for 2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride is Cl.Nc1cccc(N)c1CC1COCO1.
What is the InChIKey of 2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride?
The InChIKey is AWOQBFOQVAZZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-14-7;/h1-3,7H,4-6,11-12H2;1H.
What are the key properties of 2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride?
2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-4-ylmethyl)benzene-1,3-diamine;hydrochloride is sourced from PubChem (CID 174705488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).