N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine

C19H23NO — CID 15397255

IUPACN-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine
SMILESCC(C)[C@@H](COCc1ccccc1)/N=C/c1ccccc1
InChIInChI=1S/C19H23NO/c1-16(2)19(20-13-17-9-5-3-6-10-17)15-21-14-18-11-7-4-8-12-18/h3-13,16,19H,14-15H2,1-2H3/b20-13+/t19-/m1/s1
InChIKeyWMEJITQTZSLYPQ-CVNFFVDQSA-N
MW281.40 g/mol
LogP4.35
Rot. Bonds7

About N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine

N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine (PubChem CID 15397255) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine
PubChem CID15397255
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine
SMILESCC(C)[C@@H](COCc1ccccc1)/N=C/c1ccccc1
InChIInChI=1S/C19H23NO/c1-16(2)19(20-13-17-9-5-3-6-10-17)15-21-14-18-11-7-4-8-12-18/h3-13,16,19H,14-15H2,1-2H3/b20-13+/t19-/m1/s1
InChIKeyWMEJITQTZSLYPQ-CVNFFVDQSA-N
XLogP4.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
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N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
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methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
4-methyl-2-(phenylmethoxymethyl)pentanal
CID 141220346
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
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[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine?
The IUPAC name of N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine (CID 15397255) is N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine.
What is the SMILES notation for N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine?
The canonical SMILES for N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine is CC(C)[C@@H](COCc1ccccc1)/N=C/c1ccccc1.
What is the InChIKey of N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine?
The InChIKey is WMEJITQTZSLYPQ-CVNFFVDQSA-N. The full InChI is InChI=1S/C19H23NO/c1-16(2)19(20-13-17-9-5-3-6-10-17)15-21-14-18-11-7-4-8-12-18/h3-13,16,19H,14-15H2,1-2H3/b20-13+/t19-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine?
N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine has a molecular weight of 281.40 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine is sourced from PubChem (CID 15397255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).