1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine

C17H18Cl2FN — CID 79756688

IUPAC1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1CCNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C17H18Cl2FN/c1-11-5-3-4-6-13(11)9-10-21-12(2)16-14(18)7-8-15(20)17(16)19/h3-8,12,21H,9-10H2,1-2H3
InChIKeyCURRKJUZNDTBGZ-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.33
Rot. Bonds5

About 1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine

1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine (PubChem CID 79756688) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
PubChem CID79756688
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1CCNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C17H18Cl2FN/c1-11-5-3-4-6-13(11)9-10-21-12(2)16-14(18)7-8-15(20)17(16)19/h3-8,12,21H,9-10H2,1-2H3
InChIKeyCURRKJUZNDTBGZ-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.33
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

N-[(2-bromophenyl)methyl]-1-(2,6-dichloro-3-fluorophenyl)ethanamine
CID 63455463
N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 43760653
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261722
[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol
CID 43743261
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115894601
N-[2-(2-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43095856
N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
ethyl 4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]butanoate
CID 64578328
3-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylaniline
CID 43545032
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548563
N-[2-(2-fluorophenyl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43097346

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine (CID 79756688) is 1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine is Cc1ccccc1CCNC(C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is CURRKJUZNDTBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-11-5-3-4-6-13(11)9-10-21-12(2)16-14(18)7-8-15(20)17(16)19/h3-8,12,21H,9-10H2,1-2H3.
What are the key properties of 1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine has a molecular weight of 326.24 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 79756688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).