4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride

C9H15ClN2O2 — CID 171222633

IUPAC4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc([C@@H](N)CN)ccc1O.Cl
InChIInChI=1S/C9H14N2O2.ClH/c1-13-9-4-6(7(11)5-10)2-3-8(9)12;/h2-4,7,12H,5,10-11H2,1H3;1H/t7-;/m0./s1
InChIKeyYWJKIRQTTPRPHA-FJXQXJEOSA-N
MW218.68 g/mol
LogP0.78
Rot. Bonds3

About 4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride

4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride (PubChem CID 171222633) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
PubChem CID171222633
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc([C@@H](N)CN)ccc1O.Cl
InChIInChI=1S/C9H14N2O2.ClH/c1-13-9-4-6(7(11)5-10)2-3-8(9)12;/h2-4,7,12H,5,10-11H2,1H3;1H/t7-;/m0./s1
InChIKeyYWJKIRQTTPRPHA-FJXQXJEOSA-N
XLogP0.78
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
CID 171222654
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-(1-aminobut-3-enyl)-2-methoxyphenol
CID 55295606
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
(1S)-1-(4-iodo-3-methoxyphenyl)ethane-1,2-diamine
CID 130741212
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
4-[amino(methoxy)methyl]-2-methoxyphenol
CID 89378154

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride (CID 171222633) is 4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride is COc1cc([C@@H](N)CN)ccc1O.Cl.
What is the InChIKey of 4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride?
The InChIKey is YWJKIRQTTPRPHA-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H14N2O2.ClH/c1-13-9-4-6(7(11)5-10)2-3-8(9)12;/h2-4,7,12H,5,10-11H2,1H3;1H/t7-;/m0./s1.
What are the key properties of 4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride?
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of 0.78, 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-methoxyphenol;hydrochloride is sourced from PubChem (CID 171222633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).