3-[2-(1,3-dioxolan-2-yl)phenyl]aniline

C15H15NO2 — CID 7021719

IUPAC3-[2-(1,3-dioxolan-2-yl)phenyl]aniline
SMILESNc1cccc(-c2ccccc2C2OCCO2)c1
InChIInChI=1S/C15H15NO2/c16-12-5-3-4-11(10-12)13-6-1-2-7-14(13)15-17-8-9-18-15/h1-7,10,15H,8-9,16H2
InChIKeyBHFKCQACBNGTQD-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.98
Rot. Bonds2

About 3-[2-(1,3-dioxolan-2-yl)phenyl]aniline

3-[2-(1,3-dioxolan-2-yl)phenyl]aniline (PubChem CID 7021719) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[2-(1,3-dioxolan-2-yl)phenyl]aniline.

Molecular Properties

Compound Name3-[2-(1,3-dioxolan-2-yl)phenyl]aniline
PubChem CID7021719
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-[2-(1,3-dioxolan-2-yl)phenyl]aniline
SMILESNc1cccc(-c2ccccc2C2OCCO2)c1
InChIInChI=1S/C15H15NO2/c16-12-5-3-4-11(10-12)13-6-1-2-7-14(13)15-17-8-9-18-15/h1-7,10,15H,8-9,16H2
InChIKeyBHFKCQACBNGTQD-UHFFFAOYSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane
CID 177395730
3-[2-(2-phenylphenyl)phenyl]aniline
CID 172502206
3-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline
CID 139501279
3-(2,3-difluorophenyl)aniline
CID 63987316
3-(2-morpholin-4-ylsulfonylphenyl)aniline
CID 66864744
3-(1,3-dioxan-2-yl)aniline
CID 601607
3-[2-(2-methylphenyl)phenyl]aniline
CID 174293524
3-(2-chlorophenyl)aniline;ethane
CID 142211425
5-(1,3-dioxolan-2-yl)-3,4-dihydroisochromen-1-one
CID 118726457
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-(3-bromo-2-fluorophenyl)aniline
CID 106646301

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxolan-2-yl)phenyl]aniline?
The IUPAC name of 3-[2-(1,3-dioxolan-2-yl)phenyl]aniline (CID 7021719) is 3-[2-(1,3-dioxolan-2-yl)phenyl]aniline.
What is the SMILES notation for 3-[2-(1,3-dioxolan-2-yl)phenyl]aniline?
The canonical SMILES for 3-[2-(1,3-dioxolan-2-yl)phenyl]aniline is Nc1cccc(-c2ccccc2C2OCCO2)c1.
What is the InChIKey of 3-[2-(1,3-dioxolan-2-yl)phenyl]aniline?
The InChIKey is BHFKCQACBNGTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-12-5-3-4-11(10-12)13-6-1-2-7-14(13)15-17-8-9-18-15/h1-7,10,15H,8-9,16H2.
What are the key properties of 3-[2-(1,3-dioxolan-2-yl)phenyl]aniline?
3-[2-(1,3-dioxolan-2-yl)phenyl]aniline has a molecular weight of 241.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxolan-2-yl)phenyl]aniline is sourced from PubChem (CID 7021719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).