(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine

C15H14ClF2N — CID 107476124

IUPAC(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-8-3-4-9(2)10(5-8)15(19)11-6-13(17)14(18)7-12(11)16/h3-7,15H,19H2,1-2H3
InChIKeyJMFHHWZRVOUZFV-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.28
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine

(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine (PubChem CID 107476124) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
PubChem CID107476124
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-8-3-4-9(2)10(5-8)15(19)11-6-13(17)14(18)7-12(11)16/h3-7,15H,19H2,1-2H3
InChIKeyJMFHHWZRVOUZFV-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
CID 107476078
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 106861105
(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 55101767
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 81050730
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
CID 43344864
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine (CID 107476124) is (2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine is Cc1ccc(C)c(C(N)c2cc(F)c(F)cc2Cl)c1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine?
The InChIKey is JMFHHWZRVOUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-8-3-4-9(2)10(5-8)15(19)11-6-13(17)14(18)7-12(11)16/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine?
(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine has a molecular weight of 281.73 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 107476124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).