1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine

C15H22FNO2 — CID 107686630

IUPAC1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCC2CCC(C)(C)O2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-15(2)7-6-12(19-15)10-18-14-5-4-11(9-17-3)8-13(14)16/h4-5,8,12,17H,6-7,9-10H2,1-3H3
InChIKeyDCDWFTPXLVFGGI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.88
Rot. Bonds5

About 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine

1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine (PubChem CID 107686630) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
PubChem CID107686630
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCC2CCC(C)(C)O2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-15(2)7-6-12(19-15)10-18-14-5-4-11(9-17-3)8-13(14)16/h4-5,8,12,17H,6-7,9-10H2,1-3H3
InChIKeyDCDWFTPXLVFGGI-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 116520718
1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide
CID 116522475
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-trifluoroboranuide
CID 116522457
5-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-2,2-dimethyloxolane
CID 116522401
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695869
[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-fluorophenyl]boronic acid
CID 114674517
[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
CID 116522447
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
CID 116520626
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzonitrile
CID 116521820

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine (CID 107686630) is 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(OCC2CCC(C)(C)O2)c(F)c1.
What is the InChIKey of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is DCDWFTPXLVFGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(2)7-6-12(19-15)10-18-14-5-4-11(9-17-3)8-13(14)16/h4-5,8,12,17H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107686630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).