N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

C15H16Cl2N2 — CID 779066

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-19(9-7-13-4-2-3-8-18-13)11-12-5-6-14(16)15(17)10-12/h2-6,8,10H,7,9,11H2,1H3
InChIKeyLZNFAQMNKBRVMV-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.06
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 779066) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID779066
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-19(9-7-13-4-2-3-8-18-13)11-12-5-6-14(16)15(17)10-12/h2-6,8,10H,7,9,11H2,1H3
InChIKeyLZNFAQMNKBRVMV-UHFFFAOYSA-N
XLogP4.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
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Rupatadine
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CID 10315110
13-Chloro-2-(1-propan-2-ylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 68168663
2-(4'-Chlorobenzyl)pyridine
CID 78054
alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
CID 99025
4-(4-chlorobenzyl)-N-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]piperazin-1-amine
CID 5343521
2-(P-Chlorostyryl)pyridine
CID 219326
2'-Chloro-N-methyl-1,2,5,6-tetrahydro-3,4'-bipyridine hcl
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CID 3711158

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 779066) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is LZNFAQMNKBRVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-19(9-7-13-4-2-3-8-18-13)11-12-5-6-14(16)15(17)10-12/h2-6,8,10H,7,9,11H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 779066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).