2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine

C15H16Cl2N2 — CID 80707891

IUPAC2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNCCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C15H16Cl2N2/c1-11-2-5-14(19-9-11)10-18-7-6-12-3-4-13(16)8-15(12)17/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyURVRZSCCXLUJSS-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.03
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine

2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 80707891) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID80707891
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNCCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C15H16Cl2N2/c1-11-2-5-14(19-9-11)10-18-7-6-12-3-4-13(16)8-15(12)17/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyURVRZSCCXLUJSS-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 104878329
2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 63422918
2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 43088170
2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539502
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17209881
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 30054388
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103768738

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine (CID 80707891) is 2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine is Cc1ccc(CNCCc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is URVRZSCCXLUJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-11-2-5-14(19-9-11)10-18-7-6-12-3-4-13(16)8-15(12)17/h2-5,8-9,18H,6-7,10H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 80707891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).