N-(2,6-ditert-butylphenyl)naphthalen-2-amine

C24H29N — CID 20570568

IUPACN-(2,6-ditert-butylphenyl)naphthalen-2-amine
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1Nc1ccc2ccccc2c1
InChIInChI=1S/C24H29N/c1-23(2,3)20-12-9-13-21(24(4,5)6)22(20)25-19-15-14-17-10-7-8-11-18(17)16-19/h7-16,25H,1-6H3
InChIKeyKVLMMFGEKXXUIA-UHFFFAOYSA-N
MW331.50 g/mol
LogP7.18
Rot. Bonds2

About N-(2,6-ditert-butylphenyl)naphthalen-2-amine

N-(2,6-ditert-butylphenyl)naphthalen-2-amine (PubChem CID 20570568) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is N-(2,6-ditert-butylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(2,6-ditert-butylphenyl)naphthalen-2-amine
PubChem CID20570568
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC NameN-(2,6-ditert-butylphenyl)naphthalen-2-amine
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1Nc1ccc2ccccc2c1
InChIInChI=1S/C24H29N/c1-23(2,3)20-12-9-13-21(24(4,5)6)22(20)25-19-15-14-17-10-7-8-11-18(17)16-19/h7-16,25H,1-6H3
InChIKeyKVLMMFGEKXXUIA-UHFFFAOYSA-N
XLogP7.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-ditert-butylphenyl)naphthalen-2-amine?
The IUPAC name of N-(2,6-ditert-butylphenyl)naphthalen-2-amine (CID 20570568) is N-(2,6-ditert-butylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(2,6-ditert-butylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(2,6-ditert-butylphenyl)naphthalen-2-amine is CC(C)(C)c1cccc(C(C)(C)C)c1Nc1ccc2ccccc2c1.
What is the InChIKey of N-(2,6-ditert-butylphenyl)naphthalen-2-amine?
The InChIKey is KVLMMFGEKXXUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-23(2,3)20-12-9-13-21(24(4,5)6)22(20)25-19-15-14-17-10-7-8-11-18(17)16-19/h7-16,25H,1-6H3.
What are the key properties of N-(2,6-ditert-butylphenyl)naphthalen-2-amine?
N-(2,6-ditert-butylphenyl)naphthalen-2-amine has a molecular weight of 331.50 g/mol, XLogP of 7.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-ditert-butylphenyl)naphthalen-2-amine is sourced from PubChem (CID 20570568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).