N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine

C25H23N — CID 18331969

IUPACN-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine
SMILESCC(C)(c1ccccc1)c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C25H23N/c1-25(2,20-11-4-3-5-12-20)21-15-17-22(18-16-21)26-24-14-8-10-19-9-6-7-13-23(19)24/h3-18,26H,1-2H3
InChIKeyILHJVDSKBNJFTO-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.91
Rot. Bonds4

About N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine

N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine (PubChem CID 18331969) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine
PubChem CID18331969
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC NameN-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine
SMILESCC(C)(c1ccccc1)c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C25H23N/c1-25(2,20-11-4-3-5-12-20)21-15-17-22(18-16-21)26-24-14-8-10-19-9-6-7-13-23(19)24/h3-18,26H,1-2H3
InChIKeyILHJVDSKBNJFTO-UHFFFAOYSA-N
XLogP6.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine (CID 18331969) is N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine is CC(C)(c1ccccc1)c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is ILHJVDSKBNJFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-25(2,20-11-4-3-5-12-20)21-15-17-22(18-16-21)26-24-14-8-10-19-9-6-7-13-23(19)24/h3-18,26H,1-2H3.
What are the key properties of N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine?
N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 337.47 g/mol, XLogP of 6.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 18331969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).