N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine

C20H23NO — CID 12712295

IUPACN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOC[C@H](Cc1ccccc1)/N=C1\CCCc2ccccc21
InChIInChI=1S/C20H23NO/c1-22-15-18(14-16-8-3-2-4-9-16)21-20-13-7-11-17-10-5-6-12-19(17)20/h2-6,8-10,12,18H,7,11,13-15H2,1H3/b21-20+/t18-/m0/s1
InChIKeyKWKQGJCYODRAHR-MKSIGINJSA-N
MW293.41 g/mol
LogP4.07
Rot. Bonds5

About N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 12712295) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID12712295
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOC[C@H](Cc1ccccc1)/N=C1\CCCc2ccccc21
InChIInChI=1S/C20H23NO/c1-22-15-18(14-16-8-3-2-4-9-16)21-20-13-7-11-17-10-5-6-12-19(17)20/h2-6,8-10,12,18H,7,11,13-15H2,1H3/b21-20+/t18-/m0/s1
InChIKeyKWKQGJCYODRAHR-MKSIGINJSA-N
XLogP4.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-N-Benzylidene-1-methoxy-3-phenylpropan-2-amine
CID 383468
(4S)-4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 57815561
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine
CID 11172627
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pentan-3-imine
CID 12696666
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine
CID 12696670
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine
CID 12696672
(s)-2,4-Dibenzyloxazoline
CID 13049262
(3S,6S)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine
CID 100984928
(3RS,6SR)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine
CID 100984929
(3R,6S)-3-Benzyl-6-(cyclohexyl-methyl)-2,5-dimethoxy-3,6-dihydro-pyrazine
CID 100984932
1-Benzyl-3,4-dihydrodimethoxyisoquinoline
CID 129718351
N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine
CID 134877791

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine (CID 12712295) is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine is COC[C@H](Cc1ccccc1)/N=C1\CCCc2ccccc21.
What is the InChIKey of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is KWKQGJCYODRAHR-MKSIGINJSA-N. The full InChI is InChI=1S/C20H23NO/c1-22-15-18(14-16-8-3-2-4-9-16)21-20-13-7-11-17-10-5-6-12-19(17)20/h2-6,8-10,12,18H,7,11,13-15H2,1H3/b21-20+/t18-/m0/s1.
What are the key properties of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine?
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 293.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 12712295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).