[2-(1-aminoethyl)-5-methoxyphenyl]methanol

C10H15NO2 — CID 130042307

IUPAC[2-(1-aminoethyl)-5-methoxyphenyl]methanol
SMILESCOc1ccc(C(C)N)c(CO)c1
InChIInChI=1S/C10H15NO2/c1-7(11)10-4-3-9(13-2)5-8(10)6-12/h3-5,7,12H,6,11H2,1-2H3
InChIKeyJNNVHKBAIVKPQQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.21
Rot. Bonds3

About [2-(1-aminoethyl)-5-methoxyphenyl]methanol

[2-(1-aminoethyl)-5-methoxyphenyl]methanol (PubChem CID 130042307) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [2-(1-aminoethyl)-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(1-aminoethyl)-5-methoxyphenyl]methanol
PubChem CID130042307
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[2-(1-aminoethyl)-5-methoxyphenyl]methanol
SMILESCOc1ccc(C(C)N)c(CO)c1
InChIInChI=1S/C10H15NO2/c1-7(11)10-4-3-9(13-2)5-8(10)6-12/h3-5,7,12H,6,11H2,1-2H3
InChIKeyJNNVHKBAIVKPQQ-UHFFFAOYSA-N
XLogP1.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718303
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
CID 117306605
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-5-methoxyphenyl]methanol?
The IUPAC name of [2-(1-aminoethyl)-5-methoxyphenyl]methanol (CID 130042307) is [2-(1-aminoethyl)-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-(1-aminoethyl)-5-methoxyphenyl]methanol?
The canonical SMILES for [2-(1-aminoethyl)-5-methoxyphenyl]methanol is COc1ccc(C(C)N)c(CO)c1.
What is the InChIKey of [2-(1-aminoethyl)-5-methoxyphenyl]methanol?
The InChIKey is JNNVHKBAIVKPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(11)10-4-3-9(13-2)5-8(10)6-12/h3-5,7,12H,6,11H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)-5-methoxyphenyl]methanol?
[2-(1-aminoethyl)-5-methoxyphenyl]methanol has a molecular weight of 181.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-5-methoxyphenyl]methanol is sourced from PubChem (CID 130042307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).