4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H19ClFN — CID 91240365

IUPAC4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(C)C1CCC(c2ccc(Cl)c(F)c2)c2ccccc21
InChIInChI=1S/C18H19ClFN/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12/h3-7,9,11,13,18H,8,10H2,1-2H3
InChIKeyDMYFUSPMCUVGOQ-UHFFFAOYSA-N
MW303.81 g/mol
LogP5.01
Rot. Bonds2

About 4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 91240365) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID91240365
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(C)C1CCC(c2ccc(Cl)c(F)c2)c2ccccc21
InChIInChI=1S/C18H19ClFN/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12/h3-7,9,11,13,18H,8,10H2,1-2H3
InChIKeyDMYFUSPMCUVGOQ-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 91240365) is 4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CN(C)C1CCC(c2ccc(Cl)c(F)c2)c2ccccc21.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DMYFUSPMCUVGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12/h3-7,9,11,13,18H,8,10H2,1-2H3.
What are the key properties of 4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 303.81 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 91240365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).