4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol

C19H33NO2 — CID 83943004

IUPAC4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1cc(C)cc(C(C)(C)C)c1OC
InChIInChI=1S/C19H33NO2/c1-7-8-16(20)17(21)10-9-14-11-13(2)12-15(18(14)22-6)19(3,4)5/h11-12,16-17,21H,7-10,20H2,1-6H3
InChIKeyJLDZRWLPEJMQII-UHFFFAOYSA-N
MW307.48 g/mol
LogP3.72
Rot. Bonds7

About 4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol

4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol (PubChem CID 83943004) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol.

Molecular Properties

Compound Name4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol
PubChem CID83943004
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1cc(C)cc(C(C)(C)C)c1OC
InChIInChI=1S/C19H33NO2/c1-7-8-16(20)17(21)10-9-14-11-13(2)12-15(18(14)22-6)19(3,4)5/h11-12,16-17,21H,7-10,20H2,1-6H3
InChIKeyJLDZRWLPEJMQII-UHFFFAOYSA-N
XLogP3.72
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-tert-butyl-2-methoxy-5-methylphenyl)pentane-2,3-diol
CID 83943010
1-(3-tert-butyl-2-ethoxy-5-methylphenyl)heptane-3,4-diol
CID 83943134
6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol
CID 70234299
4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
CID 112513655
4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol
CID 83940153
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
CID 83943375
4-amino-1-(2-bromo-4,5-dimethylphenyl)heptan-3-ol
CID 83921957
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 82292256
1-(3,5-dimethyl-2-propoxyphenyl)hexane-3,4-diol
CID 83942267

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol?
The IUPAC name of 4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol (CID 83943004) is 4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol.
What is the SMILES notation for 4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol?
The canonical SMILES for 4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol is CCCC(N)C(O)CCc1cc(C)cc(C(C)(C)C)c1OC.
What is the InChIKey of 4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol?
The InChIKey is JLDZRWLPEJMQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-7-8-16(20)17(21)10-9-14-11-13(2)12-15(18(14)22-6)19(3,4)5/h11-12,16-17,21H,7-10,20H2,1-6H3.
What are the key properties of 4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol?
4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol has a molecular weight of 307.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol is sourced from PubChem (CID 83943004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).