N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

C15H17ClN2 — CID 768261

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-18(11-9-15-4-2-3-10-17-15)12-13-5-7-14(16)8-6-13/h2-8,10H,9,11-12H2,1H3
InChIKeySQHWKRORNZPNBZ-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.41
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 768261) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID768261
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-18(11-9-15-4-2-3-10-17-15)12-13-5-7-14(16)8-6-13/h2-8,10H,9,11-12H2,1H3
InChIKeySQHWKRORNZPNBZ-UHFFFAOYSA-N
XLogP3.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 768261) is N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is SQHWKRORNZPNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-18(11-9-15-4-2-3-10-17-15)12-13-5-7-14(16)8-6-13/h2-8,10H,9,11-12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 768261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).