2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine

C16H18Cl2N2 — CID 11034223

IUPAC2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine
SMILESClCCN(CCCl)Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C16H18Cl2N2/c17-8-11-20(12-9-18)13-14-4-6-15(7-5-14)16-3-1-2-10-19-16/h1-7,10H,8-9,11-13H2
InChIKeySYIWRQWIAUDWJF-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.03
Rot. Bonds7

About 2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine

2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine (PubChem CID 11034223) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine
PubChem CID11034223
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine
SMILESClCCN(CCCl)Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C16H18Cl2N2/c17-8-11-20(12-9-18)13-14-4-6-15(7-5-14)16-3-1-2-10-19-16/h1-7,10H,8-9,11-13H2
InChIKeySYIWRQWIAUDWJF-UHFFFAOYSA-N
XLogP4.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine (CID 11034223) is 2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine is ClCCN(CCCl)Cc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine?
The InChIKey is SYIWRQWIAUDWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c17-8-11-20(12-9-18)13-14-4-6-15(7-5-14)16-3-1-2-10-19-16/h1-7,10H,8-9,11-13H2.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine?
2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine has a molecular weight of 309.24 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 11034223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).