1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine

C14H11Cl3FN — CID 107991696

IUPAC1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3FN/c1-19-14(8-2-4-10(15)12(17)6-8)9-3-5-11(16)13(18)7-9/h2-7,14,19H,1H3
InChIKeyFDNNVRWOISTWAA-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.09
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine

1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine (PubChem CID 107991696) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
PubChem CID107991696
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3FN/c1-19-14(8-2-4-10(15)12(17)6-8)9-3-5-11(16)13(18)7-9/h2-7,14,19H,1H3
InChIKeyFDNNVRWOISTWAA-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.61
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998783
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 107993056
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107998576
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 81492170
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401
1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 107998804
1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82814658
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107993035

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine (CID 107991696) is 1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The InChIKey is FDNNVRWOISTWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c1-19-14(8-2-4-10(15)12(17)6-8)9-3-5-11(16)13(18)7-9/h2-7,14,19H,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine has a molecular weight of 318.61 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 107991696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).