5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol

C17H29NO2 — CID 83939390

IUPAC5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
SMILESCCC(N)C(O)CC(C)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C17H29NO2/c1-7-14(18)15(19)8-10(2)17-11(3)9-16(20-6)12(4)13(17)5/h9-10,14-15,19H,7-8,18H2,1-6H3
InChIKeyJPWQDVYSKXYWIA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.21
Rot. Bonds6

About 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol

5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol (PubChem CID 83939390) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol.

Molecular Properties

Compound Name5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
PubChem CID83939390
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
SMILESCCC(N)C(O)CC(C)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C17H29NO2/c1-7-14(18)15(19)8-10(2)17-11(3)9-16(20-6)12(4)13(17)5/h9-10,14-15,19H,7-8,18H2,1-6H3
InChIKeyJPWQDVYSKXYWIA-UHFFFAOYSA-N
XLogP3.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
CID 83939393
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol
CID 83931688
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetonitrile
CID 116851070
5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
CID 83939473
4-(4-ethoxy-2,3,6-trimethylphenyl)pentane-1,2-diol
CID 83939523
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
CID 116830252
4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 5163002
5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
CID 83928886
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol?
The IUPAC name of 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol (CID 83939390) is 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol.
What is the SMILES notation for 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol?
The canonical SMILES for 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol is CCC(N)C(O)CC(C)c1c(C)cc(OC)c(C)c1C.
What is the InChIKey of 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol?
The InChIKey is JPWQDVYSKXYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-14(18)15(19)8-10(2)17-11(3)9-16(20-6)12(4)13(17)5/h9-10,14-15,19H,7-8,18H2,1-6H3.
What are the key properties of 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol?
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol has a molecular weight of 279.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol is sourced from PubChem (CID 83939390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).