5-amino-2-[(1R)-1-aminopropyl]phenol

C9H14N2O — CID 130738459

IUPAC5-amino-2-[(1R)-1-aminopropyl]phenol
SMILESCC[C@@H](N)c1ccc(N)cc1O
InChIInChI=1S/C9H14N2O/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,8,12H,2,10-11H2,1H3/t8-/m1/s1
InChIKeyYAQUUICELQFSSN-MRVPVSSYSA-N
MW166.22 g/mol
LogP1.38
Rot. Bonds2

About 5-amino-2-[(1R)-1-aminopropyl]phenol

5-amino-2-[(1R)-1-aminopropyl]phenol (PubChem CID 130738459) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-amino-2-[(1R)-1-aminopropyl]phenol.

Molecular Properties

Compound Name5-amino-2-[(1R)-1-aminopropyl]phenol
PubChem CID130738459
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-amino-2-[(1R)-1-aminopropyl]phenol
SMILESCC[C@@H](N)c1ccc(N)cc1O
InChIInChI=1S/C9H14N2O/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,8,12H,2,10-11H2,1H3/t8-/m1/s1
InChIKeyYAQUUICELQFSSN-MRVPVSSYSA-N
XLogP1.38
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-aminopropyl]benzene-1,3-diol
CID 55255477
4-[(1S)-1-aminopropyl]benzene-1,3-diol;hydrochloride
CID 171219642
4-[(1R)-1-aminopropyl]-3-bromoaniline
CID 131173181
3-(1-aminopropyl)-4-methylaniline
CID 130000361
4-[(1S)-1-aminopropyl]-3-methoxyaniline
CID 130731352
4-amino-2-(1-aminopropyl)benzoic acid
CID 130001366
4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575
4-amino-3-(1-aminopropyl)phenol
CID 55282942
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
4-amino-2-ethoxyphenol
CID 12856010
4-(1-aminopropyl)naphthalen-1-ol
CID 82263143
4-(1-aminopropyl)-2-fluorobenzene-1,3-diol
CID 130062351

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1R)-1-aminopropyl]phenol?
The IUPAC name of 5-amino-2-[(1R)-1-aminopropyl]phenol (CID 130738459) is 5-amino-2-[(1R)-1-aminopropyl]phenol.
What is the SMILES notation for 5-amino-2-[(1R)-1-aminopropyl]phenol?
The canonical SMILES for 5-amino-2-[(1R)-1-aminopropyl]phenol is CC[C@@H](N)c1ccc(N)cc1O.
What is the InChIKey of 5-amino-2-[(1R)-1-aminopropyl]phenol?
The InChIKey is YAQUUICELQFSSN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,8,12H,2,10-11H2,1H3/t8-/m1/s1.
What are the key properties of 5-amino-2-[(1R)-1-aminopropyl]phenol?
5-amino-2-[(1R)-1-aminopropyl]phenol has a molecular weight of 166.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1R)-1-aminopropyl]phenol is sourced from PubChem (CID 130738459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).