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

C19H25NO2 — CID 51993135

IUPAC(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cccc(OCc2ccccc2C)c1
InChIInChI=1S/C19H25NO2/c1-3-18(13-21)20-12-16-8-6-10-19(11-16)22-14-17-9-5-4-7-15(17)2/h4-11,18,20-21H,3,12-14H2,1-2H3/t18-/m0/s1
InChIKeyPIDQYAQBTQDWLX-SFHVURJKSA-N
MW299.41 g/mol
LogP3.43
Rot. Bonds8

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

(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol (PubChem CID 51993135) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
PubChem CID51993135
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cccc(OCc2ccccc2C)c1
InChIInChI=1S/C19H25NO2/c1-3-18(13-21)20-12-16-8-6-10-19(11-16)22-14-17-9-5-4-7-15(17)2/h4-11,18,20-21H,3,12-14H2,1-2H3/t18-/m0/s1
InChIKeyPIDQYAQBTQDWLX-SFHVURJKSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
(2S)-2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40638934
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
(2R)-2-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727233
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290202
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
4-methyl-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528160
(2S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993357
(2R)-2-[[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51994305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol (CID 51993135) is (2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol is CC[C@@H](CO)NCc1cccc(OCc2ccccc2C)c1.
What is the InChIKey of (2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The InChIKey is PIDQYAQBTQDWLX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-18(13-21)20-12-16-8-6-10-19(11-16)22-14-17-9-5-4-7-15(17)2/h4-11,18,20-21H,3,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol has a molecular weight of 299.41 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 51993135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).