N-phenylnaphthalen-1-amine

C16H13N — CID 7013

IUPACN-phenylnaphthalen-1-amine
SMILESc1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
InChIKeyXQVWYOYUZDUNRW-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.58
Rot. Bonds2

About N-phenylnaphthalen-1-amine

N-phenylnaphthalen-1-amine (PubChem CID 7013) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-phenylnaphthalen-1-amine
PubChem CID7013
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC NameN-phenylnaphthalen-1-amine
SMILESc1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
InChIKeyXQVWYOYUZDUNRW-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenylnaphthalen-1-amine?
The IUPAC name of N-phenylnaphthalen-1-amine (CID 7013) is N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-phenylnaphthalen-1-amine?
The canonical SMILES for N-phenylnaphthalen-1-amine is c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-phenylnaphthalen-1-amine?
The InChIKey is XQVWYOYUZDUNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H.
What are the key properties of N-phenylnaphthalen-1-amine?
N-phenylnaphthalen-1-amine has a molecular weight of 219.29 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylnaphthalen-1-amine is sourced from PubChem (CID 7013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).