(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol

C20H27NO3 — CID 51988439

IUPAC(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cccc(OC)c1OCc1cccc(C)c1
InChIInChI=1S/C20H27NO3/c1-4-18(13-22)21-12-17-9-6-10-19(23-3)20(17)24-14-16-8-5-7-15(2)11-16/h5-11,18,21-22H,4,12-14H2,1-3H3/t18-/m0/s1
InChIKeyLWWJRFWNAKPVKA-SFHVURJKSA-N
MW329.44 g/mol
LogP3.44
Rot. Bonds9

About (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol

(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol (PubChem CID 51988439) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
PubChem CID51988439
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cccc(OC)c1OCc1cccc(C)c1
InChIInChI=1S/C20H27NO3/c1-4-18(13-22)21-12-17-9-6-10-19(23-3)20(17)24-14-16-8-5-7-15(2)11-16/h5-11,18,21-22H,4,12-14H2,1-3H3/t18-/m0/s1
InChIKeyLWWJRFWNAKPVKA-SFHVURJKSA-N
XLogP3.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 29186553
2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 17054600
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4716006
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4722183
(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 40726440
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
2-[[3-methoxy-2-(2-methylpropoxy)phenyl]methylamino]butan-1-ol
CID 54849183
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17054714
N-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 39455732
2-[2-[(1-hydroxybutan-2-ylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535747
4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol
CID 82185820
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol (CID 51988439) is (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol is CC[C@@H](CO)NCc1cccc(OC)c1OCc1cccc(C)c1.
What is the InChIKey of (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The InChIKey is LWWJRFWNAKPVKA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27NO3/c1-4-18(13-22)21-12-17-9-6-10-19(23-3)20(17)24-14-16-8-5-7-15(2)11-16/h5-11,18,21-22H,4,12-14H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol has a molecular weight of 329.44 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 51988439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).