4-[(1R)-1-aminoethyl]-2-methoxyphenol

C9H13NO2 — CID 42282043

IUPAC4-[(1R)-1-aminoethyl]-2-methoxyphenol
SMILESCOc1cc([C@@H](C)N)ccc1O
InChIInChI=1S/C9H13NO2/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-6,11H,10H2,1-2H3/t6-/m1/s1
InChIKeyCCUOPHCFZGJEKT-ZCFIWIBFSA-N
MW167.21 g/mol
LogP1.42
Rot. Bonds2

About 4-[(1R)-1-aminoethyl]-2-methoxyphenol

4-[(1R)-1-aminoethyl]-2-methoxyphenol (PubChem CID 42282043) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-methoxyphenol
PubChem CID42282043
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-[(1R)-1-aminoethyl]-2-methoxyphenol
SMILESCOc1cc([C@@H](C)N)ccc1O
InChIInChI=1S/C9H13NO2/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-6,11H,10H2,1-2H3/t6-/m1/s1
InChIKeyCCUOPHCFZGJEKT-ZCFIWIBFSA-N
XLogP1.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
4-[amino(methoxy)methyl]-2-methoxyphenol
CID 89378154
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-methoxyphenol?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-methoxyphenol (CID 42282043) is 4-[(1R)-1-aminoethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-methoxyphenol is COc1cc([C@@H](C)N)ccc1O.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-methoxyphenol?
The InChIKey is CCUOPHCFZGJEKT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-6,11H,10H2,1-2H3/t6-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-methoxyphenol?
4-[(1R)-1-aminoethyl]-2-methoxyphenol has a molecular weight of 167.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-methoxyphenol is sourced from PubChem (CID 42282043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).