1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine

C15H22FNO2 — CID 116764677

IUPAC1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1C)C1(OC)CCOCC1
InChIInChI=1S/C15H22FNO2/c1-11-10-12(16)4-5-13(11)14(17-2)15(18-3)6-8-19-9-7-15/h4-5,10,14,17H,6-9H2,1-3H3
InChIKeySXJQLKQJCKMFHT-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine

1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine (PubChem CID 116764677) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
PubChem CID116764677
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1C)C1(OC)CCOCC1
InChIInChI=1S/C15H22FNO2/c1-11-10-12(16)4-5-13(11)14(17-2)15(18-3)6-8-19-9-7-15/h4-5,10,14,17H,6-9H2,1-3H3
InChIKeySXJQLKQJCKMFHT-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116764773
[(4-ethoxyoxan-4-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105276821
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 115852569
1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766426
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116764616
1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 106680980
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719
1-(1-methoxycycloheptyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116770175
[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105276457
1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 114731441
N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765061
1-(dimethoxymethyl)-4-fluoro-2-methylbenzene
CID 135381934

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine (CID 116764677) is 1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine is CNC(c1ccc(F)cc1C)C1(OC)CCOCC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The InChIKey is SXJQLKQJCKMFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11-10-12(16)4-5-13(11)14(17-2)15(18-3)6-8-19-9-7-15/h4-5,10,14,17H,6-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 116764677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).