1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine

C18H22F2N2 — CID 122228827

IUPAC1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(F)cccc1-c1cccc(F)c1CN(C)C
InChIInChI=1S/C18H22F2N2/c1-21(2)11-15-13(7-5-9-17(15)19)14-8-6-10-18(20)16(14)12-22(3)4/h5-10H,11-12H2,1-4H3
InChIKeyLJVQUMOKQIEEPO-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.76
Rot. Bonds5

About 1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine

1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine (PubChem CID 122228827) has the molecular formula C18H22F2N2 and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine
PubChem CID122228827
Molecular FormulaC18H22F2N2
Molecular Weight304.38 g/mol
Exact Mass304.18
IUPAC Name1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(F)cccc1-c1cccc(F)c1CN(C)C
InChIInChI=1S/C18H22F2N2/c1-21(2)11-15-13(7-5-9-17(15)19)14-8-6-10-18(20)16(14)12-22(3)4/h5-10H,11-12H2,1-4H3
InChIKeyLJVQUMOKQIEEPO-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine (CID 122228827) is 1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine is CN(C)Cc1c(F)cccc1-c1cccc(F)c1CN(C)C.
What is the InChIKey of 1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine?
The InChIKey is LJVQUMOKQIEEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2/c1-21(2)11-15-13(7-5-9-17(15)19)14-8-6-10-18(20)16(14)12-22(3)4/h5-10H,11-12H2,1-4H3.
What are the key properties of 1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine?
1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine has a molecular weight of 304.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 122228827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).