N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine

C17H21ClN2O — CID 81253689

IUPACN-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C17H21ClN2O/c1-4-6-19-10-14-11-20-7-5-16(14)21-17-12(2)8-15(18)9-13(17)3/h5,7-9,11,19H,4,6,10H2,1-3H3
InChIKeyJABDFSKAMIQWKW-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.64
Rot. Bonds6

About N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81253689) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81253689
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C17H21ClN2O/c1-4-6-19-10-14-11-20-7-5-16(14)21-17-12(2)8-15(18)9-13(17)3/h5,7-9,11,19H,4,6,10H2,1-3H3
InChIKeyJABDFSKAMIQWKW-UHFFFAOYSA-N
XLogP4.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-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-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 81250184
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253728
N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250606
N-[[4-(3-bromo-5-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81326386
N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075176
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 43283414
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282629

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 81253689) is N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1Oc1c(C)cc(Cl)cc1C.
What is the InChIKey of N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is JABDFSKAMIQWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-6-19-10-14-11-20-7-5-16(14)21-17-12(2)8-15(18)9-13(17)3/h5,7-9,11,19H,4,6,10H2,1-3H3.
What are the key properties of N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 304.82 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81253689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).