1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine

C15H14ClF2N — CID 82772910

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(F)c(Cl)cc2F)cc1
InChIInChI=1S/C15H14ClF2N/c1-9-2-4-10(5-3-9)6-15(19)11-7-14(18)12(16)8-13(11)17/h2-5,7-8,15H,6,19H2,1H3
InChIKeyHEHSAXZNJONCNC-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.17
Rot. Bonds3

About 1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine

1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine (PubChem CID 82772910) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine
PubChem CID82772910
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(F)c(Cl)cc2F)cc1
InChIInChI=1S/C15H14ClF2N/c1-9-2-4-10(5-3-9)6-15(19)11-7-14(18)12(16)8-13(11)17/h2-5,7-8,15H,6,19H2,1H3
InChIKeyHEHSAXZNJONCNC-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
CID 107476079
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 82773222
2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301785
1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine
CID 107475984
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82772537
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine (CID 82772910) is 1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine is Cc1ccc(CC(N)c2cc(F)c(Cl)cc2F)cc1.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine?
The InChIKey is HEHSAXZNJONCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-2-4-10(5-3-9)6-15(19)11-7-14(18)12(16)8-13(11)17/h2-5,7-8,15H,6,19H2,1H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine?
1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 82772910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).