N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine

C15H15Cl2N — CID 60790391

IUPACN-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine
SMILESClc1cc(Cl)cc(CNCCc2ccccc2)c1
InChIInChI=1S/C15H15Cl2N/c16-14-8-13(9-15(17)10-14)11-18-7-6-12-4-2-1-3-5-12/h1-5,8-10,18H,6-7,11H2
InChIKeyUUHFQZBLLLHSKY-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.33
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine

N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine (PubChem CID 60790391) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine
PubChem CID60790391
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine
SMILESClc1cc(Cl)cc(CNCCc2ccccc2)c1
InChIInChI=1S/C15H15Cl2N/c16-14-8-13(9-15(17)10-14)11-18-7-6-12-4-2-1-3-5-12/h1-5,8-10,18H,6-7,11H2
InChIKeyUUHFQZBLLLHSKY-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine (CID 60790391) is N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine is Clc1cc(Cl)cc(CNCCc2ccccc2)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine?
The InChIKey is UUHFQZBLLLHSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c16-14-8-13(9-15(17)10-14)11-18-7-6-12-4-2-1-3-5-12/h1-5,8-10,18H,6-7,11H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine?
N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine has a molecular weight of 280.20 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 60790391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).