2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol

C18H23NO2 — CID 110906004

IUPAC2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
SMILESCC(CO)CNCc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(13-20)11-19-12-17-9-5-6-10-18(17)21-14-16-7-3-2-4-8-16/h2-10,15,19-20H,11-14H2,1H3
InChIKeyUOSHLRXMSLCWKG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.98
Rot. Bonds8

About 2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol

2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol (PubChem CID 110906004) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
PubChem CID110906004
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
SMILESCC(CO)CNCc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(13-20)11-19-12-17-9-5-6-10-18(17)21-14-16-7-3-2-4-8-16/h2-10,15,19-20H,11-14H2,1H3
InChIKeyUOSHLRXMSLCWKG-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214025
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214024
2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 834073
3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol
CID 66419250
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol (CID 110906004) is 2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol is CC(CO)CNCc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol?
The InChIKey is UOSHLRXMSLCWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(13-20)11-19-12-17-9-5-6-10-18(17)21-14-16-7-3-2-4-8-16/h2-10,15,19-20H,11-14H2,1H3.
What are the key properties of 2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol?
2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 110906004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).