N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C16H19ClN2O — CID 62296432

IUPACN-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H19ClN2O/c1-12(2)9-18-10-13-3-8-16(19-11-13)20-15-6-4-14(17)5-7-15/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyGDNUTXANXWOHDK-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.27
Rot. Bonds6

About N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62296432) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62296432
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H19ClN2O/c1-12(2)9-18-10-13-3-8-16(19-11-13)20-15-6-4-14(17)5-7-15/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyGDNUTXANXWOHDK-UHFFFAOYSA-N
XLogP4.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-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-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553296
N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323244
2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 62288410
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323080
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689574
N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62757153
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
N-[[6-(4-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450622
N-[[6-(2,4-dibromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64721563
1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640336
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63216591

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62296432) is N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Oc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GDNUTXANXWOHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12(2)9-18-10-13-3-8-16(19-11-13)20-15-6-4-14(17)5-7-15/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.79 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62296432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).