N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline

C26H25N — CID 59308532

IUPACN-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline
SMILESCc1ccc(N(c2cccc(-c3cccc4ccccc34)c2)C(C)C)cc1
InChIInChI=1S/C26H25N/c1-19(2)27(23-16-14-20(3)15-17-23)24-11-6-10-22(18-24)26-13-7-9-21-8-4-5-12-25(21)26/h4-19H,1-3H3
InChIKeyLHORBYHRGUWMCK-UHFFFAOYSA-N
MW351.49 g/mol
LogP7.36
Rot. Bonds4

About N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline

N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline (PubChem CID 59308532) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline
PubChem CID59308532
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC NameN-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline
SMILESCc1ccc(N(c2cccc(-c3cccc4ccccc34)c2)C(C)C)cc1
InChIInChI=1S/C26H25N/c1-19(2)27(23-16-14-20(3)15-17-23)24-11-6-10-22(18-24)26-13-7-9-21-8-4-5-12-25(21)26/h4-19H,1-3H3
InChIKeyLHORBYHRGUWMCK-UHFFFAOYSA-N
XLogP7.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline?
The IUPAC name of N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline (CID 59308532) is N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline.
What is the SMILES notation for N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline?
The canonical SMILES for N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline is Cc1ccc(N(c2cccc(-c3cccc4ccccc34)c2)C(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline?
The InChIKey is LHORBYHRGUWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N/c1-19(2)27(23-16-14-20(3)15-17-23)24-11-6-10-22(18-24)26-13-7-9-21-8-4-5-12-25(21)26/h4-19H,1-3H3.
What are the key properties of N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline?
N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline has a molecular weight of 351.49 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline is sourced from PubChem (CID 59308532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).