2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine

C15H15ClFN — CID 55095442

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFN/c1-10-4-2-3-5-13(10)15(18)8-11-6-7-12(17)9-14(11)16/h2-7,9,15H,8,18H2,1H3
InChIKeyPNNGMNIWQNFCDB-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.03
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine

2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine (PubChem CID 55095442) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
PubChem CID55095442
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFN/c1-10-4-2-3-5-13(10)15(18)8-11-6-7-12(17)9-14(11)16/h2-7,9,15H,8,18H2,1H3
InChIKeyPNNGMNIWQNFCDB-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115840484
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 114855471
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine (CID 55095442) is 2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine?
The InChIKey is PNNGMNIWQNFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-4-2-3-5-13(10)15(18)8-11-6-7-12(17)9-14(11)16/h2-7,9,15H,8,18H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine?
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine has a molecular weight of 263.74 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 55095442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).