1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine

C14H13Cl3N2 — CID 106993559

IUPAC1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H13Cl3N2/c1-19(8-10-3-2-4-12(15)7-10)9-11-5-6-13(16)18-14(11)17/h2-7H,8-9H2,1H3
InChIKeyREDCRNCUJUXDDZ-UHFFFAOYSA-N
MW315.63 g/mol
LogP4.67
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine

1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine (PubChem CID 106993559) has the molecular formula C14H13Cl3N2 and a molecular weight of 315.63 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
PubChem CID106993559
Molecular FormulaC14H13Cl3N2
Molecular Weight315.63 g/mol
Exact Mass314.01
IUPAC Name1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H13Cl3N2/c1-19(8-10-3-2-4-12(15)7-10)9-11-5-6-13(16)18-14(11)17/h2-7H,8-9H2,1H3
InChIKeyREDCRNCUJUXDDZ-UHFFFAOYSA-N
XLogP4.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.63
LogP ≤ 54.67
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

1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine
CID 106993491
2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol
CID 87686392
1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22196363
N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
CID 106993934
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine
CID 106906091
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62890794
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-fluorobenzoic acid
CID 107119400

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine (CID 106993559) is 1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine is CN(Cc1cccc(Cl)c1)Cc1ccc(Cl)nc1Cl.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The InChIKey is REDCRNCUJUXDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2/c1-19(8-10-3-2-4-12(15)7-10)9-11-5-6-13(16)18-14(11)17/h2-7H,8-9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine has a molecular weight of 315.63 g/mol, XLogP of 4.67, 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-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 106993559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).