2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine

C22H25N — CID 84752961

IUPAC2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine
SMILESCC(C)(C)c1ccc(CC(N)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H25N/c1-22(2,3)18-13-11-16(12-14-18)15-21(23)20-10-6-8-17-7-4-5-9-19(17)20/h4-14,21H,15,23H2,1-3H3
InChIKeyLTNOVLKSGCTNLS-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.38
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine

2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine (PubChem CID 84752961) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine
PubChem CID84752961
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine
SMILESCC(C)(C)c1ccc(CC(N)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H25N/c1-22(2,3)18-13-11-16(12-14-18)15-21(23)20-10-6-8-17-7-4-5-9-19(17)20/h4-14,21H,15,23H2,1-3H3
InChIKeyLTNOVLKSGCTNLS-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106691777
4-methoxy-4-methyl-1-naphthalen-1-ylpentan-1-amine
CID 103031528
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-amino-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 23091320
2-benzylsulfanyl-1-naphthalen-1-ylethanamine
CID 64619248
1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine
CID 22011088
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 115842871
2-(5-methyl-2-pyridinyl)-1-naphthalen-1-ylethanamine
CID 66446913

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine (CID 84752961) is 2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine is CC(C)(C)c1ccc(CC(N)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine?
The InChIKey is LTNOVLKSGCTNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-22(2,3)18-13-11-16(12-14-18)15-21(23)20-10-6-8-17-7-4-5-9-19(17)20/h4-14,21H,15,23H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine?
2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine has a molecular weight of 303.45 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 84752961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).