1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine

C14H20FNO3 — CID 107386627

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2COC(C)(C)O2)cc1F
InChIInChI=1S/C14H20FNO3/c1-14(2)18-9-11(19-14)8-16-7-10-4-5-13(17-3)12(15)6-10/h4-6,11,16H,7-9H2,1-3H3
InChIKeyRVZPKBJAHVIPGJ-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.08
Rot. Bonds5

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine (PubChem CID 107386627) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
PubChem CID107386627
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2COC(C)(C)O2)cc1F
InChIInChI=1S/C14H20FNO3/c1-14(2)18-9-11(19-14)8-16-7-10-4-5-13(17-3)12(15)6-10/h4-6,11,16H,7-9H2,1-3H3
InChIKeyRVZPKBJAHVIPGJ-UHFFFAOYSA-N
XLogP2.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 107386170
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine
CID 107386248
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563685
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 62734103
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-2-ylethanamine
CID 115239190
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238945
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxane-4-carboxamide
CID 71972857
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 63896870

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine (CID 107386627) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine is COc1ccc(CNCC2COC(C)(C)O2)cc1F.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine?
The InChIKey is RVZPKBJAHVIPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2)18-9-11(19-14)8-16-7-10-4-5-13(17-3)12(15)6-10/h4-6,11,16H,7-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine has a molecular weight of 269.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 107386627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).