(2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine

C17H17Cl2F2N — CID 71276945

IUPAC(2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine
SMILESC[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C17H17Cl2F2N/c1-11(2-3-12-4-6-14(18)15(19)8-12)22-10-13-5-7-16(20)17(21)9-13/h4-9,11,22H,2-3,10H2,1H3/t11-/m1/s1
InChIKeyLPHFVVQONJCXJB-LLVKDONJSA-N
MW344.23 g/mol
LogP5.38
Rot. Bonds6

About (2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine

(2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine (PubChem CID 71276945) has the molecular formula C17H17Cl2F2N and a molecular weight of 344.23 g/mol. Its IUPAC name is (2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine
PubChem CID71276945
Molecular FormulaC17H17Cl2F2N
Molecular Weight344.23 g/mol
Exact Mass343.07
IUPAC Name(2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine
SMILESC[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C17H17Cl2F2N/c1-11(2-3-12-4-6-14(18)15(19)8-12)22-10-13-5-7-16(20)17(21)9-13/h4-9,11,22H,2-3,10H2,1H3/t11-/m1/s1
InChIKeyLPHFVVQONJCXJB-LLVKDONJSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.23
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 45260288
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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine (CID 71276945) is (2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine is C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(F)c(F)c1.
What is the InChIKey of (2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine?
The InChIKey is LPHFVVQONJCXJB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17Cl2F2N/c1-11(2-3-12-4-6-14(18)15(19)8-12)22-10-13-5-7-16(20)17(21)9-13/h4-9,11,22H,2-3,10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine?
(2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine has a molecular weight of 344.23 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]butan-2-amine is sourced from PubChem (CID 71276945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).