2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol

C14H23NO2 — CID 116945325

IUPAC2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
SMILESCCC(CO)C(N)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H23NO2/c1-5-11(8-16)13(15)12-7-9(2)6-10(3)14(12)17-4/h6-7,11,13,16H,5,8,15H2,1-4H3
InChIKeyPDJKFHDXKOUQJF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.33
Rot. Bonds5

About 2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol

2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol (PubChem CID 116945325) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
PubChem CID116945325
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
SMILESCCC(CO)C(N)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H23NO2/c1-5-11(8-16)13(15)12-7-9(2)6-10(3)14(12)17-4/h6-7,11,13,16H,5,8,15H2,1-4H3
InChIKeyPDJKFHDXKOUQJF-UHFFFAOYSA-N
XLogP2.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
(1S,3S)-3-amino-1-(2-methoxy-3,5-dimethylphenyl)butane-1,4-diol
CID 165351519
2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol
CID 116945330
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
4-amino-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutanoic acid
CID 116938182
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116913355
ethyl 2-chloro-2-(2-methoxy-3,5-dimethylphenyl)acetate
CID 116863130
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116960807
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
2-[2-(2-methoxy-3,5-dimethylphenyl)butyl]-3-methyloxirane
CID 83941990
1-(2-methoxy-3,5-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315636

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol?
The IUPAC name of 2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol (CID 116945325) is 2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol is CCC(CO)C(N)c1cc(C)cc(C)c1OC.
What is the InChIKey of 2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol?
The InChIKey is PDJKFHDXKOUQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-11(8-16)13(15)12-7-9(2)6-10(3)14(12)17-4/h6-7,11,13,16H,5,8,15H2,1-4H3.
What are the key properties of 2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol?
2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol is sourced from PubChem (CID 116945325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).