1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine

C15H17ClN2O — CID 105140857

IUPAC1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2ccncc2Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-3-19-12-6-4-11(5-7-12)15(17-2)13-8-9-18-10-14(13)16/h4-10,15,17H,3H2,1-2H3
InChIKeyLOEHLLJXBHNEGD-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.44
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine

1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine (PubChem CID 105140857) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
PubChem CID105140857
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2ccncc2Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-3-19-12-6-4-11(5-7-12)15(17-2)13-8-9-18-10-14(13)16/h4-10,15,17H,3H2,1-2H3
InChIKeyLOEHLLJXBHNEGD-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 105144427
1-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 105145038
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105065538
3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
CID 112655944
1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105171386
1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
CID 105146775
1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
1-(4-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62791020
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
1-(4-ethoxyphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990532

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine (CID 105140857) is 1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine is CCOc1ccc(C(NC)c2ccncc2Cl)cc1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is LOEHLLJXBHNEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-19-12-6-4-11(5-7-12)15(17-2)13-8-9-18-10-14(13)16/h4-10,15,17H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105140857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).