naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine

C32H29NO — CID 67723054

IUPACnaphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine
SMILESNC(OCCC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C32H29NO/c33-31(27-21-20-25-12-10-11-13-26(25)24-27)34-23-22-32(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-21,24,31H,22-23,33H2
InChIKeyMPSRSKHEMZJGSU-UHFFFAOYSA-N
MW443.59 g/mol
LogP7.24
Rot. Bonds8

About naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine

naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine (PubChem CID 67723054) has the molecular formula C32H29NO and a molecular weight of 443.59 g/mol. Its IUPAC name is naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine.

Molecular Properties

Compound Namenaphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine
PubChem CID67723054
Molecular FormulaC32H29NO
Molecular Weight443.59 g/mol
Exact Mass443.22
IUPAC Namenaphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine
SMILESNC(OCCC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C32H29NO/c33-31(27-21-20-25-12-10-11-13-26(25)24-27)34-23-22-32(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-21,24,31H,22-23,33H2
InChIKeyMPSRSKHEMZJGSU-UHFFFAOYSA-N
XLogP7.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine?
The IUPAC name of naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine (CID 67723054) is naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine.
What is the SMILES notation for naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine?
The canonical SMILES for naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine is NC(OCCC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine?
The InChIKey is MPSRSKHEMZJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO/c33-31(27-21-20-25-12-10-11-13-26(25)24-27)34-23-22-32(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-21,24,31H,22-23,33H2.
What are the key properties of naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine?
naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine has a molecular weight of 443.59 g/mol, XLogP of 7.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(3,3,3-triphenylpropoxy)methanamine is sourced from PubChem (CID 67723054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).