1-[2-(3,5-dichlorophenyl)phenyl]ethanamine

C14H13Cl2N — CID 114879147

IUPAC1-[2-(3,5-dichlorophenyl)phenyl]ethanamine
SMILESCC(N)c1ccccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2N/c1-9(17)13-4-2-3-5-14(13)10-6-11(15)8-12(16)7-10/h2-9H,17H2,1H3
InChIKeyBALLQMGVMPSAHC-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.68
Rot. Bonds2

About 1-[2-(3,5-dichlorophenyl)phenyl]ethanamine

1-[2-(3,5-dichlorophenyl)phenyl]ethanamine (PubChem CID 114879147) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)phenyl]ethanamine
PubChem CID114879147
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name1-[2-(3,5-dichlorophenyl)phenyl]ethanamine
SMILESCC(N)c1ccccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2N/c1-9(17)13-4-2-3-5-14(13)10-6-11(15)8-12(16)7-10/h2-9H,17H2,1H3
InChIKeyBALLQMGVMPSAHC-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[2-(4-chlorophenyl)phenyl]ethanamine
CID 93460583
1-[2-(3-methylphenyl)phenyl]ethanamine
CID 61033604
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine
CID 54911668
boric acid;1-(2-phenylphenyl)ethanamine
CID 175210638
1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine
CID 54910087
(1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine
CID 94457197
1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine
CID 115375072
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 54911995
1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine
CID 63461961
1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine
CID 82783615
1-[2-(2,4-difluorophenyl)phenyl]ethanamine
CID 22482376
1-[2-[1-(4-chlorophenyl)ethyl]phenyl]ethanamine
CID 143284996

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)phenyl]ethanamine?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)phenyl]ethanamine (CID 114879147) is 1-[2-(3,5-dichlorophenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)phenyl]ethanamine is CC(N)c1ccccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)phenyl]ethanamine?
The InChIKey is BALLQMGVMPSAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-9(17)13-4-2-3-5-14(13)10-6-11(15)8-12(16)7-10/h2-9H,17H2,1H3.
What are the key properties of 1-[2-(3,5-dichlorophenyl)phenyl]ethanamine?
1-[2-(3,5-dichlorophenyl)phenyl]ethanamine has a molecular weight of 266.17 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)phenyl]ethanamine is sourced from PubChem (CID 114879147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).