2-[(1R)-1-aminoethyl]-3,5-dimethylphenol

C10H15NO — CID 55276249

IUPAC2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
SMILESCc1cc(C)c([C@@H](C)N)c(O)c1
InChIInChI=1S/C10H15NO/c1-6-4-7(2)10(8(3)11)9(12)5-6/h4-5,8,12H,11H2,1-3H3/t8-/m1/s1
InChIKeyKKEPVAZJQZIXMY-MRVPVSSYSA-N
MW165.24 g/mol
LogP2.03
Rot. Bonds1

About 2-[(1R)-1-aminoethyl]-3,5-dimethylphenol

2-[(1R)-1-aminoethyl]-3,5-dimethylphenol (PubChem CID 55276249) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
PubChem CID55276249
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
SMILESCc1cc(C)c([C@@H](C)N)c(O)c1
InChIInChI=1S/C10H15NO/c1-6-4-7(2)10(8(3)11)9(12)5-6/h4-5,8,12H,11H2,1-3H3/t8-/m1/s1
InChIKeyKKEPVAZJQZIXMY-MRVPVSSYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-aminopropyl]-3,5-dimethylphenol
CID 130840850
2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
CID 130674108
3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol
CID 131240979
2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol
CID 130061720
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
2-[(1S)-1-aminopropyl]-5-methylbenzene-1,3-diol
CID 55292448
4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol
CID 22338943
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745
2-(1-aminobutyl)-5-methylbenzene-1,3-diol
CID 55269868
2-[(S)-amino(cyclopropyl)methyl]-5-methylbenzene-1,3-diol
CID 130727329
3-(1-aminoethyl)-2-fluoro-5-methylphenol
CID 117276714
2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
CID 79298168

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-3,5-dimethylphenol?
The IUPAC name of 2-[(1R)-1-aminoethyl]-3,5-dimethylphenol (CID 55276249) is 2-[(1R)-1-aminoethyl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-3,5-dimethylphenol?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-3,5-dimethylphenol is Cc1cc(C)c([C@@H](C)N)c(O)c1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-3,5-dimethylphenol?
The InChIKey is KKEPVAZJQZIXMY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-4-7(2)10(8(3)11)9(12)5-6/h4-5,8,12H,11H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-3,5-dimethylphenol?
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol has a molecular weight of 165.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-3,5-dimethylphenol is sourced from PubChem (CID 55276249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).