4-chloro-2-(methoxymethyl)aniline

C8H10ClNO — CID 21396378

IUPAC4-chloro-2-(methoxymethyl)aniline
SMILESCOCc1cc(Cl)ccc1N
InChIInChI=1S/C8H10ClNO/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4H,5,10H2,1H3
InChIKeySGIIGDVPZWLERW-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.07
Rot. Bonds2

About 4-chloro-2-(methoxymethyl)aniline

4-chloro-2-(methoxymethyl)aniline (PubChem CID 21396378) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)aniline
PubChem CID21396378
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name4-chloro-2-(methoxymethyl)aniline
SMILESCOCc1cc(Cl)ccc1N
InChIInChI=1S/C8H10ClNO/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4H,5,10H2,1H3
InChIKeySGIIGDVPZWLERW-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.07
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 4-chloro-2-(methoxymethyl)aniline?
The IUPAC name of 4-chloro-2-(methoxymethyl)aniline (CID 21396378) is 4-chloro-2-(methoxymethyl)aniline.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)aniline?
The canonical SMILES for 4-chloro-2-(methoxymethyl)aniline is COCc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(methoxymethyl)aniline?
The InChIKey is SGIIGDVPZWLERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4H,5,10H2,1H3.
What are the key properties of 4-chloro-2-(methoxymethyl)aniline?
4-chloro-2-(methoxymethyl)aniline has a molecular weight of 171.63 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)aniline is sourced from PubChem (CID 21396378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).