(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine

C13H10Cl2FN — CID 43184820

IUPAC(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-11-6-3-9(7-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7,13H,17H2
InChIKeyUJAWFLZAAJEMPF-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.18
Rot. Bonds2

About (3,4-dichlorophenyl)-(4-fluorophenyl)methanamine

(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine (PubChem CID 43184820) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
PubChem CID43184820
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-11-6-3-9(7-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7,13H,17H2
InChIKeyUJAWFLZAAJEMPF-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
bis(4-fluorophenyl)methanamine
CID 10955039
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 63437327
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(4-fluorophenyl)-phenylmethanamine
CID 11183272
(4-fluorophenyl)-naphthalen-2-ylmethanamine
CID 43184816
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-fluorophenyl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(4-fluorophenyl)methanamine (CID 43184820) is (3,4-dichlorophenyl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(4-fluorophenyl)methanamine is NC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-(4-fluorophenyl)methanamine?
The InChIKey is UJAWFLZAAJEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-11-6-3-9(7-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7,13H,17H2.
What are the key properties of (3,4-dichlorophenyl)-(4-fluorophenyl)methanamine?
(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine has a molecular weight of 270.13 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 43184820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).