4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol

C10H16N2O — CID 66516147

IUPAC4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
SMILESCc1cc([C@@H](N)CN)cc(C)c1O
InChIInChI=1S/C10H16N2O/c1-6-3-8(9(12)5-11)4-7(2)10(6)13/h3-4,9,13H,5,11-12H2,1-2H3/t9-/m0/s1
InChIKeyDQGSIBONKALUCZ-VIFPVBQESA-N
MW180.25 g/mol
LogP0.97
Rot. Bonds2

About 4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol

4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol (PubChem CID 66516147) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
PubChem CID66516147
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
SMILESCc1cc([C@@H](N)CN)cc(C)c1O
InChIInChI=1S/C10H16N2O/c1-6-3-8(9(12)5-11)4-7(2)10(6)13/h3-4,9,13H,5,11-12H2,1-2H3/t9-/m0/s1
InChIKeyDQGSIBONKALUCZ-VIFPVBQESA-N
XLogP0.97
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminobutyl)-2,6-dimethylphenol
CID 55296178
4-[(1S)-1-amino-3-methylbutyl]-2,6-dimethylphenol;hydrochloride
CID 171224632
4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol
CID 131374162
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
4-[(1R)-1-amino-3-methylbut-3-enyl]-2,6-dimethylphenol;hydrochloride
CID 171205077
4-(1,2-diaminoethyl)-2,6-difluorophenol
CID 55272259
4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol
CID 82507670
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
4-[(1R)-1,2-diaminoethyl]-2-iodo-6-methoxyphenol
CID 131213942
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
2-[(1S)-1,2-diaminoethyl]-4-iodo-6-methylphenol
CID 131026853
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol (CID 66516147) is 4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol is Cc1cc([C@@H](N)CN)cc(C)c1O.
What is the InChIKey of 4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol?
The InChIKey is DQGSIBONKALUCZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-3-8(9(12)5-11)4-7(2)10(6)13/h3-4,9,13H,5,11-12H2,1-2H3/t9-/m0/s1.
What are the key properties of 4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol?
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol has a molecular weight of 180.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol is sourced from PubChem (CID 66516147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).