2-[(1R)-1-aminopropyl]-3-methylphenol

C10H15NO — CID 130648593

IUPAC2-[(1R)-1-aminopropyl]-3-methylphenol
SMILESCC[C@@H](N)c1c(C)cccc1O
InChIInChI=1S/C10H15NO/c1-3-8(11)10-7(2)5-4-6-9(10)12/h4-6,8,12H,3,11H2,1-2H3/t8-/m1/s1
InChIKeyKGGOIMOZTQJEIR-MRVPVSSYSA-N
MW165.24 g/mol
LogP2.11
Rot. Bonds2

About 2-[(1R)-1-aminopropyl]-3-methylphenol

2-[(1R)-1-aminopropyl]-3-methylphenol (PubChem CID 130648593) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-3-methylphenol.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-3-methylphenol
PubChem CID130648593
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[(1R)-1-aminopropyl]-3-methylphenol
SMILESCC[C@@H](N)c1c(C)cccc1O
InChIInChI=1S/C10H15NO/c1-3-8(11)10-7(2)5-4-6-9(10)12/h4-6,8,12H,3,11H2,1-2H3/t8-/m1/s1
InChIKeyKGGOIMOZTQJEIR-MRVPVSSYSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.11
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

1-(2,6-dimethylphenyl)propan-1-amine
CID 55282920
2-[(1S)-1-aminopropyl]-3-chlorophenol
CID 55254925
(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine
CID 130632394
2-[(1S)-1-aminopropyl]-3,5-dimethylphenol
CID 130840850
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008
2-[(1S)-1-aminopropyl]-5-methylbenzene-1,3-diol
CID 55292448
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887
1-(2,6-dimethylphenyl)-2-fluoroethanamine
CID 130061517
(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol
CID 162967922

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-3-methylphenol?
The IUPAC name of 2-[(1R)-1-aminopropyl]-3-methylphenol (CID 130648593) is 2-[(1R)-1-aminopropyl]-3-methylphenol.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-3-methylphenol?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-3-methylphenol is CC[C@@H](N)c1c(C)cccc1O.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-3-methylphenol?
The InChIKey is KGGOIMOZTQJEIR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-8(11)10-7(2)5-4-6-9(10)12/h4-6,8,12H,3,11H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-3-methylphenol?
2-[(1R)-1-aminopropyl]-3-methylphenol has a molecular weight of 165.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-3-methylphenol is sourced from PubChem (CID 130648593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).