3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol

C14H23NO2 — CID 114357844

IUPAC3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol
SMILESCCCC(N)C(CO)Oc1ccc(C)cc1C
InChIInChI=1S/C14H23NO2/c1-4-5-12(15)14(9-16)17-13-7-6-10(2)8-11(13)3/h6-8,12,14,16H,4-5,9,15H2,1-3H3
InChIKeyZQEQDNJRDODVPU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.17
Rot. Bonds6

About 3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol

3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol (PubChem CID 114357844) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol
PubChem CID114357844
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol
SMILESCCCC(N)C(CO)Oc1ccc(C)cc1C
InChIInChI=1S/C14H23NO2/c1-4-5-12(15)14(9-16)17-13-7-6-10(2)8-11(13)3/h6-8,12,14,16H,4-5,9,15H2,1-3H3
InChIKeyZQEQDNJRDODVPU-UHFFFAOYSA-N
XLogP2.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol
CID 114358313
3-amino-2-(2-methoxyphenoxy)hexan-1-ol
CID 114357945
2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
3-(2,4-dimethylphenoxy)pentan-2-one
CID 54360521
2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
CID 116942340
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
CID 64802229
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
CID 82550097
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol?
The IUPAC name of 3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol (CID 114357844) is 3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol?
The canonical SMILES for 3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol is CCCC(N)C(CO)Oc1ccc(C)cc1C.
What is the InChIKey of 3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol?
The InChIKey is ZQEQDNJRDODVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-12(15)14(9-16)17-13-7-6-10(2)8-11(13)3/h6-8,12,14,16H,4-5,9,15H2,1-3H3.
What are the key properties of 3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol?
3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol is sourced from PubChem (CID 114357844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).