N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine

C24H29N — CID 121494093

IUPACN-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine
SMILESCC(C)(C)CC(C)(C)c1ccc2ccc(Nc3ccccc3)cc2c1
InChIInChI=1S/C24H29N/c1-23(2,3)17-24(4,5)20-13-11-18-12-14-22(16-19(18)15-20)25-21-9-7-6-8-10-21/h6-16,25H,17H2,1-5H3
InChIKeyWMLKTLDRCSEWQL-UHFFFAOYSA-N
MW331.50 g/mol
LogP7.30
Rot. Bonds4

About N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine

N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine (PubChem CID 121494093) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine
PubChem CID121494093
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC NameN-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine
SMILESCC(C)(C)CC(C)(C)c1ccc2ccc(Nc3ccccc3)cc2c1
InChIInChI=1S/C24H29N/c1-23(2,3)17-24(4,5)20-13-11-18-12-14-22(16-19(18)15-20)25-21-9-7-6-8-10-21/h6-16,25H,17H2,1-5H3
InChIKeyWMLKTLDRCSEWQL-UHFFFAOYSA-N
XLogP7.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine?
The IUPAC name of N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine (CID 121494093) is N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine.
What is the SMILES notation for N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine?
The canonical SMILES for N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine is CC(C)(C)CC(C)(C)c1ccc2ccc(Nc3ccccc3)cc2c1.
What is the InChIKey of N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine?
The InChIKey is WMLKTLDRCSEWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-23(2,3)17-24(4,5)20-13-11-18-12-14-22(16-19(18)15-20)25-21-9-7-6-8-10-21/h6-16,25H,17H2,1-5H3.
What are the key properties of N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine?
N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine has a molecular weight of 331.50 g/mol, XLogP of 7.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine is sourced from PubChem (CID 121494093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).