(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol

C17H21NO2 — CID 139820128

IUPAC(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
SMILESCc1cc(OCc2ccccc2)ccc1[C@H](O)[C@@H](C)N
InChIInChI=1S/C17H21NO2/c1-12-10-15(8-9-16(12)17(19)13(2)18)20-11-14-6-4-3-5-7-14/h3-10,13,17,19H,11,18H2,1-2H3/t13-,17-/m1/s1
InChIKeyVSOJHMFJDRGUAX-CXAGYDPISA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds5

About (1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol

(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol (PubChem CID 139820128) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
PubChem CID139820128
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
SMILESCc1cc(OCc2ccccc2)ccc1[C@H](O)[C@@H](C)N
InChIInChI=1S/C17H21NO2/c1-12-10-15(8-9-16(12)17(19)13(2)18)20-11-14-6-4-3-5-7-14/h3-10,13,17,19H,11,18H2,1-2H3/t13-,17-/m1/s1
InChIKeyVSOJHMFJDRGUAX-CXAGYDPISA-N
XLogP2.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 4210839
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 541841
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
CID 171991585
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214501
2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
CID 171214502
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
CID 83937170
(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate
CID 67767154

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol (CID 139820128) is (1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol is Cc1cc(OCc2ccccc2)ccc1[C@H](O)[C@@H](C)N.
What is the InChIKey of (1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is VSOJHMFJDRGUAX-CXAGYDPISA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-10-15(8-9-16(12)17(19)13(2)18)20-11-14-6-4-3-5-7-14/h3-10,13,17,19H,11,18H2,1-2H3/t13-,17-/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol?
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 139820128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).