N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine

C15H23FN2O — CID 55241068

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCN(Cc1ccc(F)cc1)C(CN)C1CCCOC1
InChIInChI=1S/C15H23FN2O/c1-18(10-12-4-6-14(16)7-5-12)15(9-17)13-3-2-8-19-11-13/h4-7,13,15H,2-3,8-11,17H2,1H3
InChIKeyANGRSBYIKHFADR-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.01
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine

N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 55241068) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID55241068
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCN(Cc1ccc(F)cc1)C(CN)C1CCCOC1
InChIInChI=1S/C15H23FN2O/c1-18(10-12-4-6-14(16)7-5-12)15(9-17)13-3-2-8-19-11-13/h4-7,13,15H,2-3,8-11,17H2,1H3
InChIKeyANGRSBYIKHFADR-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine (CID 55241068) is N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine is CN(Cc1ccc(F)cc1)C(CN)C1CCCOC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is ANGRSBYIKHFADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(10-12-4-6-14(16)7-5-12)15(9-17)13-3-2-8-19-11-13/h4-7,13,15H,2-3,8-11,17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 55241068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).