4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine

C12H10Cl2N2O — CID 62466575

IUPAC4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
SMILESNc1cc(COc2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C12H10Cl2N2O/c13-10-2-1-9(6-11(10)14)17-7-8-3-4-16-12(15)5-8/h1-6H,7H2,(H2,15,16)
InChIKeyXVMNIKXPBKRWFO-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.55
Rot. Bonds3

About 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine

4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine (PubChem CID 62466575) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
PubChem CID62466575
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
SMILESNc1cc(COc2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C12H10Cl2N2O/c13-10-2-1-9(6-11(10)14)17-7-8-3-4-16-12(15)5-8/h1-6H,7H2,(H2,15,16)
InChIKeyXVMNIKXPBKRWFO-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
5-[(3,4-dichlorophenoxy)methyl]benzene-1,3-diamine
CID 18763424
4-[(4-phenylphenoxy)methyl]pyridin-2-amine
CID 62466234
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411
4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine
CID 62465468
6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 9137860
4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
CID 62465698
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62464940
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine (CID 62466575) is 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine is Nc1cc(COc2ccc(Cl)c(Cl)c2)ccn1.
What is the InChIKey of 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine?
The InChIKey is XVMNIKXPBKRWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-10-2-1-9(6-11(10)14)17-7-8-3-4-16-12(15)5-8/h1-6H,7H2,(H2,15,16).
What are the key properties of 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine?
4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine has a molecular weight of 269.13 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62466575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).