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

C17H18Cl2FN — CID 71276949

IUPAC(2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine
SMILESC[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1
InChIInChI=1S/C17H18Cl2FN/c1-12(21-11-14-4-7-15(20)8-5-14)2-3-13-6-9-16(18)17(19)10-13/h4-10,12,21H,2-3,11H2,1H3/t12-/m1/s1
InChIKeyOWMZVXOFFDWQSR-GFCCVEGCSA-N
MW326.24 g/mol
LogP5.24
Rot. Bonds6

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

(2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine (PubChem CID 71276949) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is (2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine
PubChem CID71276949
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name(2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine
SMILESC[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1
InChIInChI=1S/C17H18Cl2FN/c1-12(21-11-14-4-7-15(20)8-5-14)2-3-13-6-9-16(18)17(19)10-13/h4-10,12,21H,2-3,11H2,1H3/t12-/m1/s1
InChIKeyOWMZVXOFFDWQSR-GFCCVEGCSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Sertraline
CID 68617
Sertraline Hydrochloride
CID 63009
Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Indatraline hydrochloride
CID 10314472
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
CID 3020938
Sertraline, cis-(-)-
CID 54375
Sertraline, trans-(A+-)-
CID 9882979
Sertraline Hydrochloride, trans-(A+-)-
CID 18600608
4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine
CID 5203

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine (CID 71276949) is (2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine is C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1.
What is the InChIKey of (2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine?
The InChIKey is OWMZVXOFFDWQSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-12(21-11-14-4-7-15(20)8-5-14)2-3-13-6-9-16(18)17(19)10-13/h4-10,12,21H,2-3,11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine?
(2R)-4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]butan-2-amine has a molecular weight of 326.24 g/mol, XLogP of 5.24, 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-[(4-fluorophenyl)methyl]butan-2-amine is sourced from PubChem (CID 71276949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).