(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol

C11H17NO — CID 55295473

IUPAC(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc([C@@H](N)[C@H](C)O)c1
InChIInChI=1S/C11H17NO/c1-7-4-8(2)6-10(5-7)11(12)9(3)13/h4-6,9,11,13H,12H2,1-3H3/t9-,11-/m0/s1
InChIKeyKEACPRDTCZCRKM-ONGXEEELSA-N
MW179.26 g/mol
LogP1.68
Rot. Bonds2

About (1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol

(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol (PubChem CID 55295473) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
PubChem CID55295473
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc([C@@H](N)[C@H](C)O)c1
InChIInChI=1S/C11H17NO/c1-7-4-8(2)6-10(5-7)11(12)9(3)13/h4-6,9,11,13H,12H2,1-3H3/t9-,11-/m0/s1
InChIKeyKEACPRDTCZCRKM-ONGXEEELSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857
1-amino-1-(3-amino-5-methylphenyl)propan-2-ol
CID 130002019
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831
(1R,2S)-1-amino-1-(3-methoxy-5-methylphenyl)propan-2-ol
CID 130641890
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171267408
amino-(3-amino-5-methylphenyl)methanol
CID 57041170
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
bis(3,5-dimethylphenyl)methanamine
CID 115796405
1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
CID 55291623

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol (CID 55295473) is (1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol is Cc1cc(C)cc([C@@H](N)[C@H](C)O)c1.
What is the InChIKey of (1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol?
The InChIKey is KEACPRDTCZCRKM-ONGXEEELSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-4-8(2)6-10(5-7)11(12)9(3)13/h4-6,9,11,13H,12H2,1-3H3/t9-,11-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol?
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 55295473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).