N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C16H18Cl2N2O — CID 62323575

IUPACN-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(Oc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-16(2,3)19-10-14-13(18)7-8-15(20-14)21-12-6-4-5-11(17)9-12/h4-9,19H,10H2,1-3H3
InChIKeyMQJJCPQKJFQGGM-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.07
Rot. Bonds4

About N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62323575) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62323575
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(Oc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-16(2,3)19-10-14-13(18)7-8-15(20-14)21-12-6-4-5-11(17)9-12/h4-9,19H,10H2,1-3H3
InChIKeyMQJJCPQKJFQGGM-UHFFFAOYSA-N
XLogP5.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-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

N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552561
6-(3-tert-butylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446809
N-[[3-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106597989
N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295705
1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298099
N-[[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291624
N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 62321632
N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83187072
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62323929
1-[3-chloro-6-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125729
N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 102985993

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62323575) is N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nc(Oc2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is MQJJCPQKJFQGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-16(2,3)19-10-14-13(18)7-8-15(20-14)21-12-6-4-5-11(17)9-12/h4-9,19H,10H2,1-3H3.
What are the key properties of N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 325.24 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62323575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).