(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol

C19H25NO2 — CID 171265324

IUPAC(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
SMILESCCC(C)[C@H](O)[C@H](N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-3-14(2)19(21)18(20)16-11-7-8-12-17(16)22-13-15-9-5-4-6-10-15/h4-12,14,18-19,21H,3,13,20H2,1-2H3/t14?,18-,19+/m1/s1
InChIKeyUKGIXQMCHRAMGF-BRQZFJGMSA-N
MW299.41 g/mol
LogP3.67
Rot. Bonds7

About (1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol

(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol (PubChem CID 171265324) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
PubChem CID171265324
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
SMILESCCC(C)[C@H](O)[C@H](N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-3-14(2)19(21)18(20)16-11-7-8-12-17(16)22-13-15-9-5-4-6-10-15/h4-12,14,18-19,21H,3,13,20H2,1-2H3/t14?,18-,19+/m1/s1
InChIKeyUKGIXQMCHRAMGF-BRQZFJGMSA-N
XLogP3.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1S,2R)-1-amino-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-2-ol;hydrochloride
CID 171269893
1-(2-phenylmethoxyphenyl)propane-1-sulfonamide
CID 22356826
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
2-(2-phenylmethoxyphenyl)butane-1,3-diamine
CID 57280204
(1S,2R)-1-amino-3-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171269296
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol?
The IUPAC name of (1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol (CID 171265324) is (1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol is CCC(C)[C@H](O)[C@H](N)c1ccccc1OCc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol?
The InChIKey is UKGIXQMCHRAMGF-BRQZFJGMSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-14(2)19(21)18(20)16-11-7-8-12-17(16)22-13-15-9-5-4-6-10-15/h4-12,14,18-19,21H,3,13,20H2,1-2H3/t14?,18-,19+/m1/s1.
What are the key properties of (1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol?
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol is sourced from PubChem (CID 171265324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).