N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine

C15H22FNO2 — CID 107386572

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCC1COC(C)(C)O1
InChIInChI=1S/C15H22FNO2/c1-11(8-12-4-6-13(16)7-5-12)17-9-14-10-18-15(2,3)19-14/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyALTYVYSVACWEDW-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.50
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 107386572) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID107386572
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCC1COC(C)(C)O1
InChIInChI=1S/C15H22FNO2/c1-11(8-12-4-6-13(16)7-5-12)17-9-14-10-18-15(2,3)19-14/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyALTYVYSVACWEDW-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (CID 107386572) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is ALTYVYSVACWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(8-12-4-6-13(16)7-5-12)17-9-14-10-18-15(2,3)19-14/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 107386572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).