(2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol

C29H29NO — CID 101464213

IUPAC(2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol
SMILESCC(C)C[C@H](/N=C/c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO/c1-22(2)20-28(30-21-24-14-11-13-23-12-9-10-19-27(23)24)29(31,25-15-5-3-6-16-25)26-17-7-4-8-18-26/h3-19,21-22,28,31H,20H2,1-2H3/b30-21+/t28-/m0/s1
InChIKeyAHNJWEJAJQNVCW-PYRNPVBESA-N
MW407.56 g/mol
LogP6.61
Rot. Bonds7

About (2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol

(2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol (PubChem CID 101464213) has the molecular formula C29H29NO and a molecular weight of 407.56 g/mol. Its IUPAC name is (2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol.

Molecular Properties

Compound Name(2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol
PubChem CID101464213
Molecular FormulaC29H29NO
Molecular Weight407.56 g/mol
Exact Mass407.22
IUPAC Name(2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol
SMILESCC(C)C[C@H](/N=C/c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO/c1-22(2)20-28(30-21-24-14-11-13-23-12-9-10-19-27(23)24)29(31,25-15-5-3-6-16-25)26-17-7-4-8-18-26/h3-19,21-22,28,31H,20H2,1-2H3/b30-21+/t28-/m0/s1
InChIKeyAHNJWEJAJQNVCW-PYRNPVBESA-N
XLogP6.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol
CID 72994394
1-naphthalen-1-yl-N-propan-2-ylmethanimine
CID 10352682
2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol
CID 135891732
2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol
CID 135934907
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
(2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol
CID 24882028
(E)-4-naphthalen-1-ylbut-3-en-2-ol
CID 13482503
2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol
CID 140610697
N-[(E)-naphthalen-1-ylmethylideneamino]methanamine
CID 110337745
2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]propan-2-amine
CID 22891976
(2R)-2-amino-2-naphthalen-1-yl-1,1-diphenylethanol
CID 66807943
N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 46741717

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol?
The IUPAC name of (2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol (CID 101464213) is (2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol.
What is the SMILES notation for (2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol?
The canonical SMILES for (2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol is CC(C)C[C@H](/N=C/c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol?
The InChIKey is AHNJWEJAJQNVCW-PYRNPVBESA-N. The full InChI is InChI=1S/C29H29NO/c1-22(2)20-28(30-21-24-14-11-13-23-12-9-10-19-27(23)24)29(31,25-15-5-3-6-16-25)26-17-7-4-8-18-26/h3-19,21-22,28,31H,20H2,1-2H3/b30-21+/t28-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol?
(2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol has a molecular weight of 407.56 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol is sourced from PubChem (CID 101464213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).