N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H17N — CID 43190044

IUPACN-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc(NC2CCCc3ccccc32)cc1
InChIInChI=1S/C16H17N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11,16-17H,6,8,12H2
InChIKeyGGMJJPPYEFOAHJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.18
Rot. Bonds2

About N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43190044) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43190044
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc(NC2CCCc3ccccc32)cc1
InChIInChI=1S/C16H17N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11,16-17H,6,8,12H2
InChIKeyGGMJJPPYEFOAHJ-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43190044) is N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine is c1ccc(NC2CCCc3ccccc32)cc1.
What is the InChIKey of N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GGMJJPPYEFOAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11,16-17H,6,8,12H2.
What are the key properties of N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 223.32 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43190044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).