N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine

C16H17N — CID 167262475

IUPACN-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine
SMILESC1=CC2=C(CC1)CCC(Nc1ccccc1)=C2
InChIInChI=1S/C16H17N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-3,5,7-9,12,17H,4,6,10-11H2
InChIKeyCAYFQRPJAJZDLN-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.42
Rot. Bonds2

About N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine

N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine (PubChem CID 167262475) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine
PubChem CID167262475
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine
SMILESC1=CC2=C(CC1)CCC(Nc1ccccc1)=C2
InChIInChI=1S/C16H17N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-3,5,7-9,12,17H,4,6,10-11H2
InChIKeyCAYFQRPJAJZDLN-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine?
The IUPAC name of N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine (CID 167262475) is N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine is C1=CC2=C(CC1)CCC(Nc1ccccc1)=C2.
What is the InChIKey of N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine?
The InChIKey is CAYFQRPJAJZDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-3,5,7-9,12,17H,4,6,10-11H2.
What are the key properties of N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine?
N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine has a molecular weight of 223.32 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,4,5,6-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 167262475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).