1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine

C17H15ClF3N — CID 154372103

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESNC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCc2ccccc21
InChIInChI=1S/C17H15ClF3N/c18-15-8-7-12(10-14(15)17(19,20)21)16(22)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9,22H2
InChIKeyHRGGDIGGPXJWSL-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.90
Rot. Bonds1

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine

1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 154372103) has the molecular formula C17H15ClF3N and a molecular weight of 325.76 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID154372103
Molecular FormulaC17H15ClF3N
Molecular Weight325.76 g/mol
Exact Mass325.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESNC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCc2ccccc21
InChIInChI=1S/C17H15ClF3N/c18-15-8-7-12(10-14(15)17(19,20)21)16(22)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9,22H2
InChIKeyHRGGDIGGPXJWSL-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine (CID 154372103) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine is NC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCc2ccccc21.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is HRGGDIGGPXJWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N/c18-15-8-7-12(10-14(15)17(19,20)21)16(22)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9,22H2.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 325.76 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 154372103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).