2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol

C34H33NO2 — CID 162285604

IUPAC2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol
SMILESCOc1ccccc1-c1cccc2cccc(NCc3cc(C)cc(C(C)(C)c4ccccc4)c3O)c12
InChIInChI=1S/C34H33NO2/c1-23-20-25(33(36)29(21-23)34(2,3)26-14-6-5-7-15-26)22-35-30-18-11-13-24-12-10-17-28(32(24)30)27-16-8-9-19-31(27)37-4/h5-21,35-36H,22H2,1-4H3
InChIKeyQGZWSSZQRBJBSC-UHFFFAOYSA-N
MW487.64 g/mol
LogP8.47
Rot. Bonds7

About 2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol

2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol (PubChem CID 162285604) has the molecular formula C34H33NO2 and a molecular weight of 487.64 g/mol. Its IUPAC name is 2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol
PubChem CID162285604
Molecular FormulaC34H33NO2
Molecular Weight487.64 g/mol
Exact Mass487.25
IUPAC Name2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol
SMILESCOc1ccccc1-c1cccc2cccc(NCc3cc(C)cc(C(C)(C)c4ccccc4)c3O)c12
InChIInChI=1S/C34H33NO2/c1-23-20-25(33(36)29(21-23)34(2,3)26-14-6-5-7-15-26)22-35-30-18-11-13-24-12-10-17-28(32(24)30)27-16-8-9-19-31(27)37-4/h5-21,35-36H,22H2,1-4H3
InChIKeyQGZWSSZQRBJBSC-UHFFFAOYSA-N
XLogP8.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 58.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[8-(2-methoxyphenyl)naphthalen-1-yl]acetamide
CID 141351710
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CID 103880785
2-[(2-tert-butylanilino)methyl]-4-methylphenol;2-[(2-methoxyanilino)methyl]-4-methylphenol
CID 167564894
2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 70822632
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
CID 173494309
4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol
CID 153304760
2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609
2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methoxyphenol
CID 29271826
2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine
CID 168890082
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234
2-[(benzo[f][1,3]benzodioxol-5-ylamino)methyl]-6-methoxyphenol
CID 24798894

Frequently Asked Questions

What is the IUPAC name of 2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol (CID 162285604) is 2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol is COc1ccccc1-c1cccc2cccc(NCc3cc(C)cc(C(C)(C)c4ccccc4)c3O)c12.
What is the InChIKey of 2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol?
The InChIKey is QGZWSSZQRBJBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO2/c1-23-20-25(33(36)29(21-23)34(2,3)26-14-6-5-7-15-26)22-35-30-18-11-13-24-12-10-17-28(32(24)30)27-16-8-9-19-31(27)37-4/h5-21,35-36H,22H2,1-4H3.
What are the key properties of 2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol?
2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol has a molecular weight of 487.64 g/mol, XLogP of 8.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 162285604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).