(1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C24H20Cl2F3N — CID 164626863

IUPAC(1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESFC(F)(F)c1cccc(CN[C@@H]2CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)c1
InChIInChI=1S/C24H20Cl2F3N/c25-21-10-8-16(13-22(21)26)18-9-11-23(20-7-2-1-6-19(18)20)30-14-15-4-3-5-17(12-15)24(27,28)29/h1-8,10,12-13,18,23,30H,9,11,14H2/t18-,23+/m0/s1
InChIKeyFEXNROGTADXVDW-FDDCHVKYSA-N
MW450.33 g/mol
LogP7.77
Rot. Bonds4

About (1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 164626863) has the molecular formula C24H20Cl2F3N and a molecular weight of 450.33 g/mol. Its IUPAC name is (1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID164626863
Molecular FormulaC24H20Cl2F3N
Molecular Weight450.33 g/mol
Exact Mass449.09
IUPAC Name(1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESFC(F)(F)c1cccc(CN[C@@H]2CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)c1
InChIInChI=1S/C24H20Cl2F3N/c25-21-10-8-16(13-22(21)26)18-9-11-23(20-7-2-1-6-19(18)20)30-14-15-4-3-5-17(12-15)24(27,28)29/h1-8,10,12-13,18,23,30H,9,11,14H2/t18-,23+/m0/s1
InChIKeyFEXNROGTADXVDW-FDDCHVKYSA-N
XLogP7.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 164626863) is (1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is FC(F)(F)c1cccc(CN[C@@H]2CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)c1.
What is the InChIKey of (1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FEXNROGTADXVDW-FDDCHVKYSA-N. The full InChI is InChI=1S/C24H20Cl2F3N/c25-21-10-8-16(13-22(21)26)18-9-11-23(20-7-2-1-6-19(18)20)30-14-15-4-3-5-17(12-15)24(27,28)29/h1-8,10,12-13,18,23,30H,9,11,14H2/t18-,23+/m0/s1.
What are the key properties of (1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 450.33 g/mol, XLogP of 7.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 164626863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).