4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol

C10H16N2O2 — CID 55269768

IUPAC4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol
SMILESCOc1cc([C@@H](N)CN)c(C)cc1O
InChIInChI=1S/C10H16N2O2/c1-6-3-9(13)10(14-2)4-7(6)8(12)5-11/h3-4,8,13H,5,11-12H2,1-2H3/t8-/m0/s1
InChIKeyDONOIOFOFYGLOP-QMMMGPOBSA-N
MW196.25 g/mol
LogP0.67
Rot. Bonds3

About 4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol

4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol (PubChem CID 55269768) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol.

Molecular Properties

Compound Name4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol
PubChem CID55269768
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol
SMILESCOc1cc([C@@H](N)CN)c(C)cc1O
InChIInChI=1S/C10H16N2O2/c1-6-3-9(13)10(14-2)4-7(6)8(12)5-11/h3-4,8,13H,5,11-12H2,1-2H3/t8-/m0/s1
InChIKeyDONOIOFOFYGLOP-QMMMGPOBSA-N
XLogP0.67
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol
CID 77131047
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
2-[(1S)-1-amino-2-hydroxyethyl]-4-methoxy-5-methylphenol
CID 55277131
4-amino-2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 130658833
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propane-1-thiol
CID 116831267
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol?
The IUPAC name of 4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol (CID 55269768) is 4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol.
What is the SMILES notation for 4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol?
The canonical SMILES for 4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol is COc1cc([C@@H](N)CN)c(C)cc1O.
What is the InChIKey of 4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol?
The InChIKey is DONOIOFOFYGLOP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-3-9(13)10(14-2)4-7(6)8(12)5-11/h3-4,8,13H,5,11-12H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol?
4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol has a molecular weight of 196.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol is sourced from PubChem (CID 55269768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).