4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine

C16H18Cl2N2O — CID 87802772

IUPAC4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(C(N)(CCCl)Cc2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H18Cl2N2O/c1-21-14-5-3-13(4-6-14)16(19,8-9-17)10-12-2-7-15(18)20-11-12/h2-7,11H,8-10,19H2,1H3
InChIKeyGXTYITQTSYXNJD-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.77
Rot. Bonds6

About 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine

4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine (PubChem CID 87802772) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine
PubChem CID87802772
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(C(N)(CCCl)Cc2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H18Cl2N2O/c1-21-14-5-3-13(4-6-14)16(19,8-9-17)10-12-2-7-15(18)20-11-12/h2-7,11H,8-10,19H2,1H3
InChIKeyGXTYITQTSYXNJD-UHFFFAOYSA-N
XLogP3.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-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

1-chloro-3-[(6-chloro-3-pyridinyl)methyl]pentan-3-amine
CID 87331091
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
CID 161342244
1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
CID 175567565
5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
4-[(6-chloro-3-pyridinyl)methoxy]aniline
CID 20537895
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
1-(4-methoxyphenyl)-2-(6-methyl-3-pyridinyl)propan-2-amine
CID 55169860
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
CID 32810227
2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine
CID 139512366
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine (CID 87802772) is 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine is COc1ccc(C(N)(CCCl)Cc2ccc(Cl)nc2)cc1.
What is the InChIKey of 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine?
The InChIKey is GXTYITQTSYXNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-21-14-5-3-13(4-6-14)16(19,8-9-17)10-12-2-7-15(18)20-11-12/h2-7,11H,8-10,19H2,1H3.
What are the key properties of 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine?
4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine has a molecular weight of 325.24 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 87802772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).