2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol

C20H27NO3 — CID 17054600

IUPAC2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(OC)c1OCc1ccc(C)cc1
InChIInChI=1S/C20H27NO3/c1-4-18(13-22)21-12-17-6-5-7-19(23-3)20(17)24-14-16-10-8-15(2)9-11-16/h5-11,18,21-22H,4,12-14H2,1-3H3
InChIKeyGMXCJSLJKFJQPS-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.44
Rot. Bonds9

About 2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol

2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol (PubChem CID 17054600) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
PubChem CID17054600
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(OC)c1OCc1ccc(C)cc1
InChIInChI=1S/C20H27NO3/c1-4-18(13-22)21-12-17-6-5-7-19(23-3)20(17)24-14-16-10-8-15(2)9-11-16/h5-11,18,21-22H,4,12-14H2,1-3H3
InChIKeyGMXCJSLJKFJQPS-UHFFFAOYSA-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 2-[[3-methoxy-2-[(4-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-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4722183
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4716006
(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 40726440
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17054714
(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51988439
(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-[2-[(1-hydroxybutan-2-ylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535747
(2R)-2-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 29057590
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236
(2S)-2-[(2-methoxy-3-methylphenyl)methylamino]butan-1-ol
CID 97179065

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The IUPAC name of 2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol (CID 17054600) is 2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol is CCC(CO)NCc1cccc(OC)c1OCc1ccc(C)cc1.
What is the InChIKey of 2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The InChIKey is GMXCJSLJKFJQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-4-18(13-22)21-12-17-6-5-7-19(23-3)20(17)24-14-16-10-8-15(2)9-11-16/h5-11,18,21-22H,4,12-14H2,1-3H3.
What are the key properties of 2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
2-[[3-methoxy-2-[(4-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 2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 17054600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).