1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine

C15H15Cl3N2 — CID 116518968

IUPAC1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine
SMILESCC(c1cccc(Cl)c1)N(C)Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl3N2/c1-10(11-4-3-5-13(16)6-11)20(2)9-12-8-19-15(18)7-14(12)17/h3-8,10H,9H2,1-2H3
InChIKeyCTCHICDCSQZDJI-UHFFFAOYSA-N
MW329.66 g/mol
LogP5.23
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine

1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine (PubChem CID 116518968) has the molecular formula C15H15Cl3N2 and a molecular weight of 329.66 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine
PubChem CID116518968
Molecular FormulaC15H15Cl3N2
Molecular Weight329.66 g/mol
Exact Mass328.03
IUPAC Name1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine
SMILESCC(c1cccc(Cl)c1)N(C)Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl3N2/c1-10(11-4-3-5-13(16)6-11)20(2)9-12-8-19-15(18)7-14(12)17/h3-8,10H,9H2,1-2H3
InChIKeyCTCHICDCSQZDJI-UHFFFAOYSA-N
XLogP5.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.66
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]phenol
CID 62979115
5-bromo-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 79712993
2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182335
1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine
CID 71866140
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455428
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
1-N-[1-(3-chlorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452152
5-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607260
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926352
4-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]benzenecarbothioamide
CID 62980580

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine (CID 116518968) is 1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine is CC(c1cccc(Cl)c1)N(C)Cc1cnc(Cl)cc1Cl.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine?
The InChIKey is CTCHICDCSQZDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2/c1-10(11-4-3-5-13(16)6-11)20(2)9-12-8-19-15(18)7-14(12)17/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine?
1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine has a molecular weight of 329.66 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine is sourced from PubChem (CID 116518968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).