1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine

C15H23FN2O — CID 62136497

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)N(C)C1CCOCC1
InChIInChI=1S/C15H23FN2O/c1-11-9-12(16)3-4-14(11)15(10-17)18(2)13-5-7-19-8-6-13/h3-4,9,13,15H,5-8,10,17H2,1-2H3
InChIKeyGEWRKRJEWYKUFF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine

1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 62136497) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
PubChem CID62136497
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)N(C)C1CCOCC1
InChIInChI=1S/C15H23FN2O/c1-11-9-12(16)3-4-14(11)15(10-17)18(2)13-5-7-19-8-6-13/h3-4,9,13,15H,5-8,10,17H2,1-2H3
InChIKeyGEWRKRJEWYKUFF-UHFFFAOYSA-N
XLogP2.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine (CID 62136497) is 1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine is Cc1cc(F)ccc1C(CN)N(C)C1CCOCC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is GEWRKRJEWYKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11-9-12(16)3-4-14(11)15(10-17)18(2)13-5-7-19-8-6-13/h3-4,9,13,15H,5-8,10,17H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 2.24, 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)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62136497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).