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

C18H26FNO3 — CID 167932054

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine
SMILESCN(CC1COC(C)(C)O1)C1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H26FNO3/c1-18(2)22-12-16(23-18)11-20(3)15-8-9-21-17(10-15)13-4-6-14(19)7-5-13/h4-7,15-17H,8-12H2,1-3H3
InChIKeyVBCVUJWWEVTGHN-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.13
Rot. Bonds4

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine (PubChem CID 167932054) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine
PubChem CID167932054
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine
SMILESCN(CC1COC(C)(C)O1)C1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H26FNO3/c1-18(2)22-12-16(23-18)11-20(3)15-8-9-21-17(10-15)13-4-6-14(19)7-5-13/h4-7,15-17H,8-12H2,1-3H3
InChIKeyVBCVUJWWEVTGHN-UHFFFAOYSA-N
XLogP3.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine (CID 167932054) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine is CN(CC1COC(C)(C)O1)C1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine?
The InChIKey is VBCVUJWWEVTGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-18(2)22-12-16(23-18)11-20(3)15-8-9-21-17(10-15)13-4-6-14(19)7-5-13/h4-7,15-17H,8-12H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine has a molecular weight of 323.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-fluorophenyl)-N-methyloxan-4-amine is sourced from PubChem (CID 167932054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).