1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine

C16H15Cl3FN — CID 103048477

IUPAC1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cc(Cl)ccc1F)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3FN/c1-21-14(7-10-2-3-13(18)9-15(10)19)8-11-6-12(17)4-5-16(11)20/h2-6,9,14,21H,7-8H2,1H3
InChIKeyDSMFTLKJQCMOHS-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.16
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine

1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine (PubChem CID 103048477) has the molecular formula C16H15Cl3FN and a molecular weight of 346.66 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
PubChem CID103048477
Molecular FormulaC16H15Cl3FN
Molecular Weight346.66 g/mol
Exact Mass345.03
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cc(Cl)ccc1F)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3FN/c1-21-14(7-10-2-3-13(18)9-15(10)19)8-11-6-12(17)4-5-16(11)20/h2-6,9,14,21H,7-8H2,1H3
InChIKeyDSMFTLKJQCMOHS-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63412977
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 106867049
1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 55093519
1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214931
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 103048819
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685
1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine
CID 104804732
1-(2,4-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149314
1-(5-chloro-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 103049107

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine (CID 103048477) is 1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine is CNC(Cc1cc(Cl)ccc1F)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
The InChIKey is DSMFTLKJQCMOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3FN/c1-21-14(7-10-2-3-13(18)9-15(10)19)8-11-6-12(17)4-5-16(11)20/h2-6,9,14,21H,7-8H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine has a molecular weight of 346.66 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 103048477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).