N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine

C16H18FN — CID 23522973

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FN/c1-13-3-5-14(6-4-13)11-18(2)12-15-7-9-16(17)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyHJKXPPROSVFBDG-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.77
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine

N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 23522973) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID23522973
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FN/c1-13-3-5-14(6-4-13)11-18(2)12-15-7-9-16(17)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyHJKXPPROSVFBDG-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine (CID 23522973) is N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine is Cc1ccc(CN(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is HJKXPPROSVFBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-13-3-5-14(6-4-13)11-18(2)12-15-7-9-16(17)10-8-15/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 243.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 23522973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).