3-(aminomethyl)-2,5-dichloro-4-methoxyaniline

C8H10Cl2N2O — CID 23346999

IUPAC3-(aminomethyl)-2,5-dichloro-4-methoxyaniline
SMILESCOc1c(Cl)cc(N)c(Cl)c1CN
InChIInChI=1S/C8H10Cl2N2O/c1-13-8-4(3-11)7(10)6(12)2-5(8)9/h2H,3,11-12H2,1H3
InChIKeyVWYGDYIADJNFGK-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.04
Rot. Bonds2

About 3-(aminomethyl)-2,5-dichloro-4-methoxyaniline

3-(aminomethyl)-2,5-dichloro-4-methoxyaniline (PubChem CID 23346999) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 3-(aminomethyl)-2,5-dichloro-4-methoxyaniline.

Molecular Properties

Compound Name3-(aminomethyl)-2,5-dichloro-4-methoxyaniline
PubChem CID23346999
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name3-(aminomethyl)-2,5-dichloro-4-methoxyaniline
SMILESCOc1c(Cl)cc(N)c(Cl)c1CN
InChIInChI=1S/C8H10Cl2N2O/c1-13-8-4(3-11)7(10)6(12)2-5(8)9/h2H,3,11-12H2,1H3
InChIKeyVWYGDYIADJNFGK-UHFFFAOYSA-N
XLogP2.04
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride
CID 12761789
3,5-dichloro-2-methoxyaniline
CID 11217747
3,5-bis(aminomethyl)-2,4-dimethoxyaniline
CID 23346962
(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
CID 84675684
O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine
CID 117372417
2,4-dichloro-6-iodo-3-methoxyaniline
CID 171519391
(2,4,6-trichloro-3-methoxyphenyl)methanol
CID 164891467
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
5-chloro-4-methoxy-1-benzothiophen-7-amine
CID 130823667
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 83897923
3-(aminomethyl)-4,5-dimethoxy-2-propylaniline
CID 23346964

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,5-dichloro-4-methoxyaniline?
The IUPAC name of 3-(aminomethyl)-2,5-dichloro-4-methoxyaniline (CID 23346999) is 3-(aminomethyl)-2,5-dichloro-4-methoxyaniline.
What is the SMILES notation for 3-(aminomethyl)-2,5-dichloro-4-methoxyaniline?
The canonical SMILES for 3-(aminomethyl)-2,5-dichloro-4-methoxyaniline is COc1c(Cl)cc(N)c(Cl)c1CN.
What is the InChIKey of 3-(aminomethyl)-2,5-dichloro-4-methoxyaniline?
The InChIKey is VWYGDYIADJNFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-13-8-4(3-11)7(10)6(12)2-5(8)9/h2H,3,11-12H2,1H3.
What are the key properties of 3-(aminomethyl)-2,5-dichloro-4-methoxyaniline?
3-(aminomethyl)-2,5-dichloro-4-methoxyaniline has a molecular weight of 221.09 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,5-dichloro-4-methoxyaniline is sourced from PubChem (CID 23346999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).