N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine

C27H27N — CID 70682686

IUPACN-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine
SMILESCCC(C)NC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H27N/c1-3-21(2)28-27(24-14-6-4-7-15-24,25-16-8-5-9-17-25)26-19-18-22-12-10-11-13-23(22)20-26/h4-21,28H,3H2,1-2H3
InChIKeyGZBMFPCVMJIDLD-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.52
Rot. Bonds6

About N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine

N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine (PubChem CID 70682686) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine
PubChem CID70682686
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC NameN-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine
SMILESCCC(C)NC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H27N/c1-3-21(2)28-27(24-14-6-4-7-15-24,25-16-8-5-9-17-25)26-19-18-22-12-10-11-13-23(22)20-26/h4-21,28H,3H2,1-2H3
InChIKeyGZBMFPCVMJIDLD-UHFFFAOYSA-N
XLogP6.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine?
The IUPAC name of N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine (CID 70682686) is N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine is CCC(C)NC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine?
The InChIKey is GZBMFPCVMJIDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N/c1-3-21(2)28-27(24-14-6-4-7-15-24,25-16-8-5-9-17-25)26-19-18-22-12-10-11-13-23(22)20-26/h4-21,28H,3H2,1-2H3.
What are the key properties of N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine?
N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine has a molecular weight of 365.52 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[naphthalen-2-yl(diphenyl)methyl]butan-2-amine is sourced from PubChem (CID 70682686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).