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

C17H21ClN2O — CID 81253896

IUPACN-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1Oc1ccc(C)cc1Cl
InChIInChI=1S/C17H21ClN2O/c1-4-7-19-10-14-11-20-13(3)9-17(14)21-16-6-5-12(2)8-15(16)18/h5-6,8-9,11,19H,4,7,10H2,1-3H3
InChIKeyBMSRWJREEQUCCM-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.64
Rot. Bonds6

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

N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81253896) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID81253896
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1Oc1ccc(C)cc1Cl
InChIInChI=1S/C17H21ClN2O/c1-4-7-19-10-14-11-20-13(3)9-17(14)21-16-6-5-12(2)8-15(16)18/h5-6,8-9,11,19H,4,7,10H2,1-3H3
InChIKeyBMSRWJREEQUCCM-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-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 114857168
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253176
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 81151267
N-[[4-(4-chloro-3-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82718571
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928457
N-[[4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 63550749
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[[4-(2,5-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254386
N-[[2-(2-chloro-5-methylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314367
N-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine (CID 81253896) is N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(C)cc1Oc1ccc(C)cc1Cl.
What is the InChIKey of N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is BMSRWJREEQUCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-7-19-10-14-11-20-13(3)9-17(14)21-16-6-5-12(2)8-15(16)18/h5-6,8-9,11,19H,4,7,10H2,1-3H3.
What are the key properties of N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-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-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81253896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).