2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine

C14H14Cl2N2O2 — CID 43782434

IUPAC2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1cc(CNc2cccnc2Cl)cc(Cl)c1OC
InChIInChI=1S/C14H14Cl2N2O2/c1-19-12-7-9(6-10(15)13(12)20-2)8-18-11-4-3-5-17-14(11)16/h3-7,18H,8H2,1-2H3
InChIKeyVRNZGGHJWUFNGX-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.02
Rot. Bonds5

About 2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine

2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine (PubChem CID 43782434) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine
PubChem CID43782434
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1cc(CNc2cccnc2Cl)cc(Cl)c1OC
InChIInChI=1S/C14H14Cl2N2O2/c1-19-12-7-9(6-10(15)13(12)20-2)8-18-11-4-3-5-17-14(11)16/h3-7,18H,8H2,1-2H3
InChIKeyVRNZGGHJWUFNGX-UHFFFAOYSA-N
XLogP4.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(2-chloro-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 65340847
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-methylaniline
CID 43772637
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909106
4-bromo-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 43226477
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526310
N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline
CID 126121825
2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43689842
[4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
CID 115777895
2,6-dimethoxy-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042152
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051144
3-chloro-N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125043

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine (CID 43782434) is 2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine is COc1cc(CNc2cccnc2Cl)cc(Cl)c1OC.
What is the InChIKey of 2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is VRNZGGHJWUFNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-19-12-7-9(6-10(15)13(12)20-2)8-18-11-4-3-5-17-14(11)16/h3-7,18H,8H2,1-2H3.
What are the key properties of 2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine?
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 313.18 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 43782434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).