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

C8H8ClF2N — CID 70310877

IUPAC1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)c(F)cc1F
InChIInChI=1S/C8H8ClF2N/c1-12-4-5-2-6(9)8(11)3-7(5)10/h2-3,12H,4H2,1H3
InChIKeySSZJOYDVRJNYAS-UHFFFAOYSA-N
MW191.61 g/mol
LogP2.34
Rot. Bonds2

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

1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine (PubChem CID 70310877) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
PubChem CID70310877
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)c(F)cc1F
InChIInChI=1S/C8H8ClF2N/c1-12-4-5-2-6(9)8(11)3-7(5)10/h2-3,12H,4H2,1H3
InChIKeySSZJOYDVRJNYAS-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 52.34
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-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725175
N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 163922038
1-chloro-2,4-difluoro-5-(fluoromethyl)benzene
CID 118802249
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
acetaldehyde;1-[4-(chloromethyl)-2,5-difluorophenyl]-N-methylmethanamine;ethane
CID 144881353
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine
CID 65239871
1-[4-chloro-5-fluoro-2-(5-methylthiophen-2-yl)phenyl]-N-methylmethanamine
CID 172536182
1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911260
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281709

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine (CID 70310877) is 1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine is CNCc1cc(Cl)c(F)cc1F.
What is the InChIKey of 1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is SSZJOYDVRJNYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c1-12-4-5-2-6(9)8(11)3-7(5)10/h2-3,12H,4H2,1H3.
What are the key properties of 1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine?
1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine has a molecular weight of 191.61 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 70310877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).