4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol

C16H27NO2 — CID 83940153

IUPAC4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1c(C)cc(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-5-6-15(17)16(18)8-7-14-11(2)9-13(19-4)10-12(14)3/h9-10,15-16,18H,5-8,17H2,1-4H3
InChIKeyJTAGLBVLSDJOLK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.73
Rot. Bonds7

About 4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol

4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol (PubChem CID 83940153) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol.

Molecular Properties

Compound Name4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol
PubChem CID83940153
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1c(C)cc(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-5-6-15(17)16(18)8-7-14-11(2)9-13(19-4)10-12(14)3/h9-10,15-16,18H,5-8,17H2,1-4H3
InChIKeyJTAGLBVLSDJOLK-UHFFFAOYSA-N
XLogP2.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2,6-dimethylphenyl)heptane-3,4-diol
CID 112717371
4-amino-1-(2-bromo-4,5-dimethylphenyl)heptan-3-ol
CID 83921957
4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
CID 83924985
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
CID 83943375
4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol
CID 83943004
2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene
CID 82255002
(1R,2S)-1-amino-1-(3,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171160851
1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
4-amino-1-(3-methylthiophen-2-yl)heptan-3-ol
CID 83929212
5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83940411
4-(4-methoxy-2,6-dimethylphenyl)butanethioamide
CID 83940100
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol?
The IUPAC name of 4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol (CID 83940153) is 4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol.
What is the SMILES notation for 4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol?
The canonical SMILES for 4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol is CCCC(N)C(O)CCc1c(C)cc(OC)cc1C.
What is the InChIKey of 4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol?
The InChIKey is JTAGLBVLSDJOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-15(17)16(18)8-7-14-11(2)9-13(19-4)10-12(14)3/h9-10,15-16,18H,5-8,17H2,1-4H3.
What are the key properties of 4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol?
4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol has a molecular weight of 265.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol is sourced from PubChem (CID 83940153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).