(2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine

C18H21NO2 — CID 14039643

IUPAC(2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine
SMILESCOc1ccc(/N=C/[C@@H](C)COCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-15(13-21-14-16-6-4-3-5-7-16)12-19-17-8-10-18(20-2)11-9-17/h3-12,15H,13-14H2,1-2H3/b19-12+/t15-/m1/s1
InChIKeyNLBGPXRPWGLWIW-IYSPOMMRSA-N
MW283.37 g/mol
LogP4.25
Rot. Bonds7

About (2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine

(2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine (PubChem CID 14039643) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine
PubChem CID14039643
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine
SMILESCOc1ccc(/N=C/[C@@H](C)COCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-15(13-21-14-16-6-4-3-5-7-16)12-19-17-8-10-18(20-2)11-9-17/h3-12,15H,13-14H2,1-2H3/b19-12+/t15-/m1/s1
InChIKeyNLBGPXRPWGLWIW-IYSPOMMRSA-N
XLogP4.25
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N,N-dibenzyl-1-(4-methoxyphenyl)imino-3-methylbutan-2-amine
CID 101154683
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
CID 91404007
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
CID 11255470
1-[[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]methyl]-4-methoxybenzene
CID 10903767

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine (CID 14039643) is (2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine is COc1ccc(/N=C/[C@@H](C)COCc2ccccc2)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine?
The InChIKey is NLBGPXRPWGLWIW-IYSPOMMRSA-N. The full InChI is InChI=1S/C18H21NO2/c1-15(13-21-14-16-6-4-3-5-7-16)12-19-17-8-10-18(20-2)11-9-17/h3-12,15H,13-14H2,1-2H3/b19-12+/t15-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine?
(2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine has a molecular weight of 283.37 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine is sourced from PubChem (CID 14039643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).