N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine

C17H26FNO2 — CID 86814542

IUPACN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
SMILESCOCc1cc(CNC2C(C)C(OC)C2(C)C)ccc1F
InChIInChI=1S/C17H26FNO2/c1-11-15(17(2,3)16(11)21-5)19-9-12-6-7-14(18)13(8-12)10-20-4/h6-8,11,15-16,19H,9-10H2,1-5H3
InChIKeyDADBXLONBCOFHL-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.12
Rot. Bonds6

About N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine

N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine (PubChem CID 86814542) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
PubChem CID86814542
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
SMILESCOCc1cc(CNC2C(C)C(OC)C2(C)C)ccc1F
InChIInChI=1S/C17H26FNO2/c1-11-15(17(2,3)16(11)21-5)19-9-12-6-7-14(18)13(8-12)10-20-4/h6-8,11,15-16,19H,9-10H2,1-5H3
InChIKeyDADBXLONBCOFHL-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
The IUPAC name of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine (CID 86814542) is N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
The canonical SMILES for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine is COCc1cc(CNC2C(C)C(OC)C2(C)C)ccc1F.
What is the InChIKey of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
The InChIKey is DADBXLONBCOFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-11-15(17(2,3)16(11)21-5)19-9-12-6-7-14(18)13(8-12)10-20-4/h6-8,11,15-16,19H,9-10H2,1-5H3.
What are the key properties of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine is sourced from PubChem (CID 86814542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).