chloro-(2-chloro-4-methoxyphenyl)methanamine

C8H9Cl2NO — CID 116947787

IUPACchloro-(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,8H,11H2,1H3
InChIKeyLXUOOWUAKVHOBJ-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.54
Rot. Bonds2

About chloro-(2-chloro-4-methoxyphenyl)methanamine

chloro-(2-chloro-4-methoxyphenyl)methanamine (PubChem CID 116947787) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is chloro-(2-chloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Namechloro-(2-chloro-4-methoxyphenyl)methanamine
PubChem CID116947787
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Namechloro-(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,8H,11H2,1H3
InChIKeyLXUOOWUAKVHOBJ-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
CID 43561758
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
CID 116937731
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
CID 63434290
(3R)-3-amino-3-(2-chloro-4-methoxyphenyl)propanenitrile
CID 130644013
2-[amino-(2-chloro-4-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116946359
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
CID 43561843
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491

Frequently Asked Questions

What is the IUPAC name of chloro-(2-chloro-4-methoxyphenyl)methanamine?
The IUPAC name of chloro-(2-chloro-4-methoxyphenyl)methanamine (CID 116947787) is chloro-(2-chloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for chloro-(2-chloro-4-methoxyphenyl)methanamine?
The canonical SMILES for chloro-(2-chloro-4-methoxyphenyl)methanamine is COc1ccc(C(N)Cl)c(Cl)c1.
What is the InChIKey of chloro-(2-chloro-4-methoxyphenyl)methanamine?
The InChIKey is LXUOOWUAKVHOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,8H,11H2,1H3.
What are the key properties of chloro-(2-chloro-4-methoxyphenyl)methanamine?
chloro-(2-chloro-4-methoxyphenyl)methanamine has a molecular weight of 206.07 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-chloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 116947787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).