1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine

C13H19NO2 — CID 155882909

IUPAC1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(CC2COCO2)cc1
InChIInChI=1S/C13H19NO2/c1-10(14)6-11-2-4-12(5-3-11)7-13-8-15-9-16-13/h2-5,10,13H,6-9,14H2,1H3
InChIKeyKETGNGULBIEWQV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.49
Rot. Bonds4

About 1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine

1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine (PubChem CID 155882909) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine
PubChem CID155882909
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(CC2COCO2)cc1
InChIInChI=1S/C13H19NO2/c1-10(14)6-11-2-4-12(5-3-11)7-13-8-15-9-16-13/h2-5,10,13H,6-9,14H2,1H3
InChIKeyKETGNGULBIEWQV-UHFFFAOYSA-N
XLogP1.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-alpha-phenyl-1,3-dioxolane-2-methanamine
CID 19104053
(2R)-1-[4-(2-methoxyethyl)phenyl]propan-2-amine
CID 57465920
4-Methyl-2,5-dimethoxy-a-methyl-phenethylamine
CID 74949249
1-[4-(2-Methoxyethyl)phenyl]propan-2-amine
CID 76548340
(2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine
CID 57461931
1-[4-(1,3-Dioxolan-2-yl)-3-fluorophenyl]-3-methylbutan-2-amine
CID 138672915
(1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine
CID 10882368
2,2-Dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride
CID 141204578
(1R,2R)-2-(2-methoxyethoxymethoxy)-1-phenylbut-3-en-1-amine
CID 11514339
5-Methoxy-6-phenylhexan-2-amine
CID 57507748
2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol
CID 91035668
Methylenedioxy-4-methylamphetamine
CID 129719214

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine (CID 155882909) is 1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine is CC(N)Cc1ccc(CC2COCO2)cc1.
What is the InChIKey of 1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine?
The InChIKey is KETGNGULBIEWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(14)6-11-2-4-12(5-3-11)7-13-8-15-9-16-13/h2-5,10,13H,6-9,14H2,1H3.
What are the key properties of 1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine?
1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dioxolan-4-ylmethyl)phenyl]propan-2-amine is sourced from PubChem (CID 155882909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).