2-[(4-chlorophenyl)methoxy]-2-phenylethanamine

C15H16ClNO — CID 54754345

IUPAC2-[(4-chlorophenyl)methoxy]-2-phenylethanamine
SMILESNCC(OCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2
InChIKeyKFVPLCBTGAXYHI-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.56
Rot. Bonds5

About 2-[(4-chlorophenyl)methoxy]-2-phenylethanamine

2-[(4-chlorophenyl)methoxy]-2-phenylethanamine (PubChem CID 54754345) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-2-phenylethanamine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-2-phenylethanamine
PubChem CID54754345
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[(4-chlorophenyl)methoxy]-2-phenylethanamine
SMILESNCC(OCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2
InChIKeyKFVPLCBTGAXYHI-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-2-phenylethanamine?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-2-phenylethanamine (CID 54754345) is 2-[(4-chlorophenyl)methoxy]-2-phenylethanamine.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-2-phenylethanamine?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-2-phenylethanamine is NCC(OCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-2-phenylethanamine?
The InChIKey is KFVPLCBTGAXYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-2-phenylethanamine?
2-[(4-chlorophenyl)methoxy]-2-phenylethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-2-phenylethanamine is sourced from PubChem (CID 54754345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).