3-[(1R)-1-aminoethyl]-4-methoxyphenol

C9H13NO2 — CID 131197518

IUPAC3-[(1R)-1-aminoethyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1[C@@H](C)N
InChIInChI=1S/C9H13NO2/c1-6(10)8-5-7(11)3-4-9(8)12-2/h3-6,11H,10H2,1-2H3/t6-/m1/s1
InChIKeyWNTDNLZAVRTFJJ-ZCFIWIBFSA-N
MW167.21 g/mol
LogP1.42
Rot. Bonds2

About 3-[(1R)-1-aminoethyl]-4-methoxyphenol

3-[(1R)-1-aminoethyl]-4-methoxyphenol (PubChem CID 131197518) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-[(1R)-1-aminoethyl]-4-methoxyphenol.

Molecular Properties

Compound Name3-[(1R)-1-aminoethyl]-4-methoxyphenol
PubChem CID131197518
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-[(1R)-1-aminoethyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1[C@@H](C)N
InChIInChI=1S/C9H13NO2/c1-6(10)8-5-7(11)3-4-9(8)12-2/h3-6,11H,10H2,1-2H3/t6-/m1/s1
InChIKeyWNTDNLZAVRTFJJ-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

3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol
CID 131145624
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
4-methoxy-3-[1-(methylamino)ethyl]phenol
CID 84732356
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
3-(1-aminoethyl)-4-methoxybenzoic acid
CID 105448791
3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol
CID 55296324
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
CID 105481737
4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023
3-(1-aminoethyl)-4-methoxybenzaldehyde
CID 105438048
1-(5-butan-2-yl-2-methoxyphenyl)ethanamine
CID 4319802

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoethyl]-4-methoxyphenol?
The IUPAC name of 3-[(1R)-1-aminoethyl]-4-methoxyphenol (CID 131197518) is 3-[(1R)-1-aminoethyl]-4-methoxyphenol.
What is the SMILES notation for 3-[(1R)-1-aminoethyl]-4-methoxyphenol?
The canonical SMILES for 3-[(1R)-1-aminoethyl]-4-methoxyphenol is COc1ccc(O)cc1[C@@H](C)N.
What is the InChIKey of 3-[(1R)-1-aminoethyl]-4-methoxyphenol?
The InChIKey is WNTDNLZAVRTFJJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(10)8-5-7(11)3-4-9(8)12-2/h3-6,11H,10H2,1-2H3/t6-/m1/s1.
What are the key properties of 3-[(1R)-1-aminoethyl]-4-methoxyphenol?
3-[(1R)-1-aminoethyl]-4-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 3-[(1R)-1-aminoethyl]-4-methoxyphenol is sourced from PubChem (CID 131197518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).