1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine

C16H18Cl2N2 — CID 79780314

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c1-3-4-11-5-7-12(8-6-11)15(19-2)16-14(18)9-13(17)10-20-16/h5-10,15,19H,3-4H2,1-2H3
InChIKeyLFQVFLQYMQUYQE-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.65
Rot. Bonds5

About 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine

1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine (PubChem CID 79780314) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
PubChem CID79780314
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c1-3-4-11-5-7-12(8-6-11)15(19-2)16-14(18)9-13(17)10-20-16/h5-10,15,19H,3-4H2,1-2H3
InChIKeyLFQVFLQYMQUYQE-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 79779897
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 79780803
1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 105144427
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 79781127
[(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]hydrazine
CID 105248688
N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine
CID 79780969
1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107975019
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700
[(3,5-dichlorophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105303827
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine (CID 79780314) is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine is CCCc1ccc(C(NC)c2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine?
The InChIKey is LFQVFLQYMQUYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-3-4-11-5-7-12(8-6-11)15(19-2)16-14(18)9-13(17)10-20-16/h5-10,15,19H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine?
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine has a molecular weight of 309.24 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 79780314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).