(2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine

C11H15NO2 — CID 19104053

IUPAC(2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine
SMILESCC1(C(N)c2ccccc2)OCCO1
InChIInChI=1S/C11H15NO2/c1-11(13-7-8-14-11)10(12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3
InChIKeyCELQMIKDZNLVKO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.45
Rot. Bonds2

About (2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine

(2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine (PubChem CID 19104053) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine
PubChem CID19104053
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine
SMILESCC1(C(N)c2ccccc2)OCCO1
InChIInChI=1S/C11H15NO2/c1-11(13-7-8-14-11)10(12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3
InChIKeyCELQMIKDZNLVKO-UHFFFAOYSA-N
XLogP1.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine?
The IUPAC name of (2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine (CID 19104053) is (2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine.
What is the SMILES notation for (2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine?
The canonical SMILES for (2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine is CC1(C(N)c2ccccc2)OCCO1.
What is the InChIKey of (2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine?
The InChIKey is CELQMIKDZNLVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(13-7-8-14-11)10(12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3.
What are the key properties of (2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine?
(2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine has a molecular weight of 193.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxolan-2-yl)-phenylmethanamine is sourced from PubChem (CID 19104053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).