1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine

C14H11Cl2F2N — CID 107476910

IUPAC1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H11Cl2F2N/c1-19-7-8-4-9(15)2-3-10(8)11-5-13(17)14(18)6-12(11)16/h2-6,19H,7H2,1H3
InChIKeyYNKBPENQRNXIRW-UHFFFAOYSA-N
MW302.15 g/mol
LogP4.66
Rot. Bonds3

About 1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine (PubChem CID 107476910) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
PubChem CID107476910
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H11Cl2F2N/c1-19-7-8-4-9(15)2-3-10(8)11-5-13(17)14(18)6-12(11)16/h2-6,19H,7H2,1H3
InChIKeyYNKBPENQRNXIRW-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 54.66
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

1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508
1-[2-chloro-4-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476855
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
CID 66157503
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine
CID 79601651
3-[4-chloro-2-(methylaminomethyl)phenyl]-5-fluorobenzonitrile
CID 66424283
1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 66160906
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
N-[[5-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395708

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine (CID 107476910) is 1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine?
The InChIKey is YNKBPENQRNXIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c1-19-7-8-4-9(15)2-3-10(8)11-5-13(17)14(18)6-12(11)16/h2-6,19H,7H2,1H3.
What are the key properties of 1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine has a molecular weight of 302.15 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107476910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).