1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

C16H18Cl2N2O — CID 105026931

IUPAC1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H18Cl2N2O/c1-3-4-21-15-7-12(9-20-10-15)16(19-2)11-5-13(17)8-14(18)6-11/h5-10,16,19H,3-4H2,1-2H3
InChIKeySJCXYABDKXUALO-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.49
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 105026931) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
PubChem CID105026931
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H18Cl2N2O/c1-3-4-21-15-7-12(9-20-10-15)16(19-2)11-5-13(17)8-14(18)6-11/h5-10,16,19H,3-4H2,1-2H3
InChIKeySJCXYABDKXUALO-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
[(3-bromo-5-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 107948448
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 107994842
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(5-chlorothiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026778
[(3,5-dichlorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329954
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
[(3-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105194775
[(4-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105217975
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine
CID 105175758
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026815

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (CID 105026931) is 1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(NC)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is SJCXYABDKXUALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-3-4-21-15-7-12(9-20-10-15)16(19-2)11-5-13(17)8-14(18)6-11/h5-10,16,19H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 325.24 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).