5-amino-2-(4-propoxyphenyl)heptan-4-ol

C16H27NO2 — CID 83932372

IUPAC5-amino-2-(4-propoxyphenyl)heptan-4-ol
SMILESCCCOc1ccc(C(C)CC(O)C(N)CC)cc1
InChIInChI=1S/C16H27NO2/c1-4-10-19-14-8-6-13(7-9-14)12(3)11-16(18)15(17)5-2/h6-9,12,15-16,18H,4-5,10-11,17H2,1-3H3
InChIKeyWROIYKDYQNQMFW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.07
Rot. Bonds8

About 5-amino-2-(4-propoxyphenyl)heptan-4-ol

5-amino-2-(4-propoxyphenyl)heptan-4-ol (PubChem CID 83932372) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-amino-2-(4-propoxyphenyl)heptan-4-ol.

Molecular Properties

Compound Name5-amino-2-(4-propoxyphenyl)heptan-4-ol
PubChem CID83932372
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-amino-2-(4-propoxyphenyl)heptan-4-ol
SMILESCCCOc1ccc(C(C)CC(O)C(N)CC)cc1
InChIInChI=1S/C16H27NO2/c1-4-10-19-14-8-6-13(7-9-14)12(3)11-16(18)15(17)5-2/h6-9,12,15-16,18H,4-5,10-11,17H2,1-3H3
InChIKeyWROIYKDYQNQMFW-UHFFFAOYSA-N
XLogP3.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(4-ethoxyphenyl)hexan-3-ol
CID 83932254
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
5-amino-2-(3-tert-butyl-4-methylphenyl)heptan-4-ol
CID 83939260
4-amino-3-(4-propoxyphenyl)hexanoic acid
CID 66096290
5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol
CID 83935661
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83940411
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
5-amino-2-(4-propylphenyl)octan-4-ol
CID 83921589
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-propoxyphenyl)heptan-4-ol?
The IUPAC name of 5-amino-2-(4-propoxyphenyl)heptan-4-ol (CID 83932372) is 5-amino-2-(4-propoxyphenyl)heptan-4-ol.
What is the SMILES notation for 5-amino-2-(4-propoxyphenyl)heptan-4-ol?
The canonical SMILES for 5-amino-2-(4-propoxyphenyl)heptan-4-ol is CCCOc1ccc(C(C)CC(O)C(N)CC)cc1.
What is the InChIKey of 5-amino-2-(4-propoxyphenyl)heptan-4-ol?
The InChIKey is WROIYKDYQNQMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-10-19-14-8-6-13(7-9-14)12(3)11-16(18)15(17)5-2/h6-9,12,15-16,18H,4-5,10-11,17H2,1-3H3.
What are the key properties of 5-amino-2-(4-propoxyphenyl)heptan-4-ol?
5-amino-2-(4-propoxyphenyl)heptan-4-ol has a molecular weight of 265.40 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-propoxyphenyl)heptan-4-ol is sourced from PubChem (CID 83932372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).