3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine

C21H23N — CID 171341912

IUPAC3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine
SMILESCc1cccc(Nc2cc(C(C)(C)C)cc3ccccc23)c1
InChIInChI=1S/C21H23N/c1-15-8-7-10-18(12-15)22-20-14-17(21(2,3)4)13-16-9-5-6-11-19(16)20/h5-14,22H,1-4H3
InChIKeyPKAHUDLERKJVMS-UHFFFAOYSA-N
MW289.42 g/mol
LogP6.19
Rot. Bonds2

About 3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine

3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine (PubChem CID 171341912) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine
PubChem CID171341912
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine
SMILESCc1cccc(Nc2cc(C(C)(C)C)cc3ccccc23)c1
InChIInChI=1S/C21H23N/c1-15-8-7-10-18(12-15)22-20-14-17(21(2,3)4)13-16-9-5-6-11-19(16)20/h5-14,22H,1-4H3
InChIKeyPKAHUDLERKJVMS-UHFFFAOYSA-N
XLogP6.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(3-methylphenyl)methyl]naphthalen-1-amine
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1-tert-butyl-6-methylnaphthalene
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N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
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N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine?
The IUPAC name of 3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine (CID 171341912) is 3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for 3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine?
The canonical SMILES for 3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine is Cc1cccc(Nc2cc(C(C)(C)C)cc3ccccc23)c1.
What is the InChIKey of 3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine?
The InChIKey is PKAHUDLERKJVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-15-8-7-10-18(12-15)22-20-14-17(21(2,3)4)13-16-9-5-6-11-19(16)20/h5-14,22H,1-4H3.
What are the key properties of 3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine?
3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine has a molecular weight of 289.42 g/mol, XLogP of 6.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 171341912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).