5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol

C18H31NO3 — CID 83938537

IUPAC5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
SMILESCCCOc1ccc(C(C)CC(O)C(N)CCC)cc1OC
InChIInChI=1S/C18H31NO3/c1-5-7-15(19)16(20)11-13(3)14-8-9-17(22-10-6-2)18(12-14)21-4/h8-9,12-13,15-16,20H,5-7,10-11,19H2,1-4H3
InChIKeyQNVFLJQVZFWALW-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.47
Rot. Bonds10

About 5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol

5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol (PubChem CID 83938537) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
PubChem CID83938537
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
SMILESCCCOc1ccc(C(C)CC(O)C(N)CCC)cc1OC
InChIInChI=1S/C18H31NO3/c1-5-7-15(19)16(20)11-13(3)14-8-9-17(22-10-6-2)18(12-14)21-4/h8-9,12-13,15-16,20H,5-7,10-11,19H2,1-4H3
InChIKeyQNVFLJQVZFWALW-UHFFFAOYSA-N
XLogP3.47
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
CID 83928886
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489
2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83938445
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032
5-amino-2-(4-propoxyphenyl)heptan-4-ol
CID 83932372
4-hept-4-yn-2-yl-2-methoxy-1-propoxybenzene
CID 83938504
3-(3-methoxy-4-propoxyphenyl)hexanoic acid
CID 83958717
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83940411
5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol
CID 83939263

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol (CID 83938537) is 5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol is CCCOc1ccc(C(C)CC(O)C(N)CCC)cc1OC.
What is the InChIKey of 5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol?
The InChIKey is QNVFLJQVZFWALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-5-7-15(19)16(20)11-13(3)14-8-9-17(22-10-6-2)18(12-14)21-4/h8-9,12-13,15-16,20H,5-7,10-11,19H2,1-4H3.
What are the key properties of 5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol?
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol has a molecular weight of 309.45 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol is sourced from PubChem (CID 83938537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).