N-phenylnaphthalen-2-amine;propan-2-one

C19H19NO — CID 133065564

IUPACN-phenylnaphthalen-2-amine;propan-2-one
SMILESCC(C)=O.c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H13N.C3H6O/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16;1-3(2)4/h1-12,17H;1-2H3
InChIKeyQNAGRMMRMMRYER-UHFFFAOYSA-N
MW277.37 g/mol
LogP5.18
Rot. Bonds2

About N-phenylnaphthalen-2-amine;propan-2-one

N-phenylnaphthalen-2-amine;propan-2-one (PubChem CID 133065564) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-phenylnaphthalen-2-amine;propan-2-one.

Molecular Properties

Compound NameN-phenylnaphthalen-2-amine;propan-2-one
PubChem CID133065564
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-phenylnaphthalen-2-amine;propan-2-one
SMILESCC(C)=O.c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H13N.C3H6O/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16;1-3(2)4/h1-12,17H;1-2H3
InChIKeyQNAGRMMRMMRYER-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-1-naphthylamine
CID 7013
N-phenyl-2-naphthylamine
CID 8679
N,N'-Di(2-naphthyl)-p-phenylenediamine
CID 7142
N-1-Pyrenylacetamide
CID 255653
Thionalide
CID 66733
N-2-Naphthalenylacetamide
CID 11394
Acetamide, N-1-naphthalenyl-
CID 68461
1-(Naphthalen-2-yl)-3-phenylurea
CID 239526
1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006
N-(1-Naphthyl)hexanamide
CID 532117
Acetamide, N-(9,10-dihydro-2-phenanthryl)-
CID 28996
N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 299693

Frequently Asked Questions

What is the IUPAC name of N-phenylnaphthalen-2-amine;propan-2-one?
The IUPAC name of N-phenylnaphthalen-2-amine;propan-2-one (CID 133065564) is N-phenylnaphthalen-2-amine;propan-2-one.
What is the SMILES notation for N-phenylnaphthalen-2-amine;propan-2-one?
The canonical SMILES for N-phenylnaphthalen-2-amine;propan-2-one is CC(C)=O.c1ccc(Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-phenylnaphthalen-2-amine;propan-2-one?
The InChIKey is QNAGRMMRMMRYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N.C3H6O/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16;1-3(2)4/h1-12,17H;1-2H3.
What are the key properties of N-phenylnaphthalen-2-amine;propan-2-one?
N-phenylnaphthalen-2-amine;propan-2-one has a molecular weight of 277.37 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylnaphthalen-2-amine;propan-2-one is sourced from PubChem (CID 133065564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).