1-(2-amino-5-methoxyphenyl)butan-1-ol

C11H17NO2 — CID 112541122

IUPAC1-(2-amino-5-methoxyphenyl)butan-1-ol
SMILESCCCC(O)c1cc(OC)ccc1N
InChIInChI=1S/C11H17NO2/c1-3-4-11(13)9-7-8(14-2)5-6-10(9)12/h5-7,11,13H,3-4,12H2,1-2H3
InChIKeyNNKVZBLLWIFFNI-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.11
Rot. Bonds4

About 1-(2-amino-5-methoxyphenyl)butan-1-ol

1-(2-amino-5-methoxyphenyl)butan-1-ol (PubChem CID 112541122) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(2-amino-5-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-methoxyphenyl)butan-1-ol
PubChem CID112541122
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(2-amino-5-methoxyphenyl)butan-1-ol
SMILESCCCC(O)c1cc(OC)ccc1N
InChIInChI=1S/C11H17NO2/c1-3-4-11(13)9-7-8(14-2)5-6-10(9)12/h5-7,11,13H,3-4,12H2,1-2H3
InChIKeyNNKVZBLLWIFFNI-UHFFFAOYSA-N
XLogP2.11
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-methylphenyl)butan-1-ol
CID 112541135
1-[3-(2-amino-5-methoxyphenyl)-3-hydroxypropyl]-3-methylthiourea
CID 127046260
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197
(2-amino-5-methoxyphenyl)-cyclopropylmethanol
CID 105447147
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
2-[(1S,2R)-1-amino-2-hydroxypentyl]-4-methoxyphenol
CID 171267548
2-(2-amino-5-methoxyphenyl)octanoic acid
CID 106987315
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxyphenyl)butan-1-ol?
The IUPAC name of 1-(2-amino-5-methoxyphenyl)butan-1-ol (CID 112541122) is 1-(2-amino-5-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(2-amino-5-methoxyphenyl)butan-1-ol?
The canonical SMILES for 1-(2-amino-5-methoxyphenyl)butan-1-ol is CCCC(O)c1cc(OC)ccc1N.
What is the InChIKey of 1-(2-amino-5-methoxyphenyl)butan-1-ol?
The InChIKey is NNKVZBLLWIFFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-11(13)9-7-8(14-2)5-6-10(9)12/h5-7,11,13H,3-4,12H2,1-2H3.
What are the key properties of 1-(2-amino-5-methoxyphenyl)butan-1-ol?
1-(2-amino-5-methoxyphenyl)butan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 112541122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).