(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol

C14H23NO2 — CID 171271183

IUPAC(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-5-12(16)13(15)10-6-8-11(9-7-10)17-14(2,3)4/h6-9,12-13,16H,5,15H2,1-4H3/t12-,13+/m1/s1
InChIKeyYTSXQADYJNDHOC-OLZOCXBDSA-N
MW237.34 g/mol
LogP2.63
Rot. Bonds4

About (1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol

(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol (PubChem CID 171271183) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
PubChem CID171271183
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-5-12(16)13(15)10-6-8-11(9-7-10)17-14(2,3)4/h6-9,12-13,16H,5,15H2,1-4H3/t12-,13+/m1/s1
InChIKeyYTSXQADYJNDHOC-OLZOCXBDSA-N
XLogP2.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263199
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)butan-2-ol;hydrochloride
CID 171162399
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 77130956
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
CID 170889301
3,5,6-trimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]octan-3-amine
CID 146334396
2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486849
2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid
CID 77128830
tert-butyl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanoate
CID 152566620
3-(methylamino)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propane-1,2-diol
CID 171858536
ethyl (3S)-3-amino-2,2-difluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 171251286
2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile
CID 12895748
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol
CID 171159873

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol (CID 171271183) is (1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol is CC[C@@H](O)[C@@H](N)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of (1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol?
The InChIKey is YTSXQADYJNDHOC-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-12(16)13(15)10-6-8-11(9-7-10)17-14(2,3)4/h6-9,12-13,16H,5,15H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol?
(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol is sourced from PubChem (CID 171271183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).