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

C16H15Cl2F2N — CID 63419768

IUPAC1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1Cl)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-21-14(6-10-2-4-12(19)8-15(10)17)7-11-3-5-13(20)9-16(11)18/h2-5,8-9,14,21H,6-7H2,1H3
InChIKeyZIVGTSYNHOWNOG-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.64
Rot. Bonds5

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

1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 63419768) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
PubChem CID63419768
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1Cl)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-21-14(6-10-2-4-12(19)8-15(10)17)7-11-3-5-13(20)9-16(11)18/h2-5,8-9,14,21H,6-7H2,1H3
InChIKeyZIVGTSYNHOWNOG-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63419681
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 63035807
1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine
CID 62604095
1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 79699824
1-(2-chloro-4-fluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105133236
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-(2-chloro-4-fluorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149153
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine (CID 63419768) is 1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(F)cc1Cl)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is ZIVGTSYNHOWNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-21-14(6-10-2-4-12(19)8-15(10)17)7-11-3-5-13(20)9-16(11)18/h2-5,8-9,14,21H,6-7H2,1H3.
What are the key properties of 1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 330.21 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 63419768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).