2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine

C15H16ClNO — CID 82501011

IUPAC2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
SMILESCOc1ccc(Cl)cc1C(CN)c1ccccc1
InChIInChI=1S/C15H16ClNO/c1-18-15-8-7-12(16)9-13(15)14(10-17)11-5-3-2-4-6-11/h2-9,14H,10,17H2,1H3
InChIKeyQYQYDPPZRZQKAD-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.44
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine

2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine (PubChem CID 82501011) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
PubChem CID82501011
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
SMILESCOc1ccc(Cl)cc1C(CN)c1ccccc1
InChIInChI=1S/C15H16ClNO/c1-18-15-8-7-12(16)9-13(15)14(10-17)11-5-3-2-4-6-11/h2-9,14H,10,17H2,1H3
InChIKeyQYQYDPPZRZQKAD-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 82023303
2-(1-bromo-2-phenylbutyl)-4-chloro-1-methoxybenzene
CID 104546500
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835574
4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene
CID 56601836
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65190720
1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 105141041
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
CID 65141873

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine (CID 82501011) is 2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine is COc1ccc(Cl)cc1C(CN)c1ccccc1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine?
The InChIKey is QYQYDPPZRZQKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-18-15-8-7-12(16)9-13(15)14(10-17)11-5-3-2-4-6-11/h2-9,14H,10,17H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine?
2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine is sourced from PubChem (CID 82501011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).