1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine

C30H33N — CID 135160160

IUPAC1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine
SMILESCc1cc(-c2c(NC(C)c3ccccc3)ccc3ccccc23)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C30H33N/c1-20-18-26(21(2)27(19-20)30(4,5)6)29-25-15-11-10-14-24(25)16-17-28(29)31-22(3)23-12-8-7-9-13-23/h7-19,22,31H,1-6H3
InChIKeyMMPHQSQSUWTIMA-UHFFFAOYSA-N
MW407.60 g/mol
LogP8.59
Rot. Bonds4

About 1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine

1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine (PubChem CID 135160160) has the molecular formula C30H33N and a molecular weight of 407.60 g/mol. Its IUPAC name is 1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine
PubChem CID135160160
Molecular FormulaC30H33N
Molecular Weight407.60 g/mol
Exact Mass407.26
IUPAC Name1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine
SMILESCc1cc(-c2c(NC(C)c3ccccc3)ccc3ccccc23)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C30H33N/c1-20-18-26(21(2)27(19-20)30(4,5)6)29-25-15-11-10-14-24(25)16-17-28(29)31-22(3)23-12-8-7-9-13-23/h7-19,22,31H,1-6H3
InChIKeyMMPHQSQSUWTIMA-UHFFFAOYSA-N
XLogP8.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine?
The IUPAC name of 1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine (CID 135160160) is 1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine.
What is the SMILES notation for 1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine?
The canonical SMILES for 1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine is Cc1cc(-c2c(NC(C)c3ccccc3)ccc3ccccc23)c(C)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine?
The InChIKey is MMPHQSQSUWTIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N/c1-20-18-26(21(2)27(19-20)30(4,5)6)29-25-15-11-10-14-24(25)16-17-28(29)31-22(3)23-12-8-7-9-13-23/h7-19,22,31H,1-6H3.
What are the key properties of 1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine?
1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine has a molecular weight of 407.60 g/mol, XLogP of 8.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine is sourced from PubChem (CID 135160160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).