(3-chloro-4-fluorophenyl)methanamine;methoxymethane

C9H13ClFNO — CID 144849872

IUPAC(3-chloro-4-fluorophenyl)methanamine;methoxymethane
SMILESCOC.NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H7ClFN.C2H6O/c8-6-3-5(4-10)1-2-7(6)9;1-3-2/h1-3H,4,10H2;1-2H3
InChIKeyMVAYHSJOTJMCJJ-UHFFFAOYSA-N
MW205.66 g/mol
LogP2.20
Rot. Bonds1

About (3-chloro-4-fluorophenyl)methanamine;methoxymethane

(3-chloro-4-fluorophenyl)methanamine;methoxymethane (PubChem CID 144849872) has the molecular formula C9H13ClFNO and a molecular weight of 205.66 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)methanamine;methoxymethane.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)methanamine;methoxymethane
PubChem CID144849872
Molecular FormulaC9H13ClFNO
Molecular Weight205.66 g/mol
Exact Mass205.07
IUPAC Name(3-chloro-4-fluorophenyl)methanamine;methoxymethane
SMILESCOC.NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H7ClFN.C2H6O/c8-6-3-5(4-10)1-2-7(6)9;1-3-2/h1-3H,4,10H2;1-2H3
InChIKeyMVAYHSJOTJMCJJ-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
CID 103039883
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131945
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)methanamine;methoxymethane?
The IUPAC name of (3-chloro-4-fluorophenyl)methanamine;methoxymethane (CID 144849872) is (3-chloro-4-fluorophenyl)methanamine;methoxymethane.
What is the SMILES notation for (3-chloro-4-fluorophenyl)methanamine;methoxymethane?
The canonical SMILES for (3-chloro-4-fluorophenyl)methanamine;methoxymethane is COC.NCc1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)methanamine;methoxymethane?
The InChIKey is MVAYHSJOTJMCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN.C2H6O/c8-6-3-5(4-10)1-2-7(6)9;1-3-2/h1-3H,4,10H2;1-2H3.
What are the key properties of (3-chloro-4-fluorophenyl)methanamine;methoxymethane?
(3-chloro-4-fluorophenyl)methanamine;methoxymethane has a molecular weight of 205.66 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)methanamine;methoxymethane is sourced from PubChem (CID 144849872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).