3-chloro-2-(methoxymethyl)aniline;hydrochloride

C8H11Cl2NO — CID 71756114

IUPAC3-chloro-2-(methoxymethyl)aniline;hydrochloride
SMILESCOCc1c(N)cccc1Cl.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-11-5-6-7(9)3-2-4-8(6)10;/h2-4H,5,10H2,1H3;1H
InChIKeyGPDWHDNBCBSEKX-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.49
Rot. Bonds2

About 3-chloro-2-(methoxymethyl)aniline;hydrochloride

3-chloro-2-(methoxymethyl)aniline;hydrochloride (PubChem CID 71756114) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 3-chloro-2-(methoxymethyl)aniline;hydrochloride.

Molecular Properties

Compound Name3-chloro-2-(methoxymethyl)aniline;hydrochloride
PubChem CID71756114
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name3-chloro-2-(methoxymethyl)aniline;hydrochloride
SMILESCOCc1c(N)cccc1Cl.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-11-5-6-7(9)3-2-4-8(6)10;/h2-4H,5,10H2,1H3;1H
InChIKeyGPDWHDNBCBSEKX-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(methoxymethyl)aniline;hydrochloride?
The IUPAC name of 3-chloro-2-(methoxymethyl)aniline;hydrochloride (CID 71756114) is 3-chloro-2-(methoxymethyl)aniline;hydrochloride.
What is the SMILES notation for 3-chloro-2-(methoxymethyl)aniline;hydrochloride?
The canonical SMILES for 3-chloro-2-(methoxymethyl)aniline;hydrochloride is COCc1c(N)cccc1Cl.Cl.
What is the InChIKey of 3-chloro-2-(methoxymethyl)aniline;hydrochloride?
The InChIKey is GPDWHDNBCBSEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-11-5-6-7(9)3-2-4-8(6)10;/h2-4H,5,10H2,1H3;1H.
What are the key properties of 3-chloro-2-(methoxymethyl)aniline;hydrochloride?
3-chloro-2-(methoxymethyl)aniline;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(methoxymethyl)aniline;hydrochloride is sourced from PubChem (CID 71756114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).