2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine

C14H11Cl2F2N — CID 107995680

IUPAC2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11Cl2F2N/c15-10-3-1-8(12(17)7-10)6-14(19)9-2-4-11(16)13(18)5-9/h1-5,7,14H,6,19H2
InChIKeyBSTFNBPTBGIZSM-UHFFFAOYSA-N
MW302.15 g/mol
LogP4.51
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine

2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine (PubChem CID 107995680) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
PubChem CID107995680
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11Cl2F2N/c15-10-3-1-8(12(17)7-10)6-14(19)9-2-4-11(16)13(18)5-9/h1-5,7,14H,6,19H2
InChIKeyBSTFNBPTBGIZSM-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 105055258
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine (CID 107995680) is 2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1F)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
The InChIKey is BSTFNBPTBGIZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c15-10-3-1-8(12(17)7-10)6-14(19)9-2-4-11(16)13(18)5-9/h1-5,7,14H,6,19H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine has a molecular weight of 302.15 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 107995680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).