5-(3-methoxy-4-propoxyphenyl)hexan-2-amine

C16H27NO2 — CID 83938489

IUPAC5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
SMILESCCCOc1ccc(C(C)CCC(C)N)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-10-19-15-9-8-14(11-16(15)18-4)12(2)6-7-13(3)17/h8-9,11-13H,5-7,10,17H2,1-4H3
InChIKeyZYHJFRUTYGDQCN-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.71
Rot. Bonds8

About 5-(3-methoxy-4-propoxyphenyl)hexan-2-amine

5-(3-methoxy-4-propoxyphenyl)hexan-2-amine (PubChem CID 83938489) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-(3-methoxy-4-propoxyphenyl)hexan-2-amine.

Molecular Properties

Compound Name5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
PubChem CID83938489
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
SMILESCCCOc1ccc(C(C)CCC(C)N)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-10-19-15-9-8-14(11-16(15)18-4)12(2)6-7-13(3)17/h8-9,11-13H,5-7,10,17H2,1-4H3
InChIKeyZYHJFRUTYGDQCN-UHFFFAOYSA-N
XLogP3.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83938445
4-hept-4-yn-2-yl-2-methoxy-1-propoxybenzene
CID 83938504
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
3-(4-ethoxy-3-methoxyphenyl)butane-1-thiol
CID 83938307
1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
CID 170891440
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-propoxyphenyl)hexan-2-amine?
The IUPAC name of 5-(3-methoxy-4-propoxyphenyl)hexan-2-amine (CID 83938489) is 5-(3-methoxy-4-propoxyphenyl)hexan-2-amine.
What is the SMILES notation for 5-(3-methoxy-4-propoxyphenyl)hexan-2-amine?
The canonical SMILES for 5-(3-methoxy-4-propoxyphenyl)hexan-2-amine is CCCOc1ccc(C(C)CCC(C)N)cc1OC.
What is the InChIKey of 5-(3-methoxy-4-propoxyphenyl)hexan-2-amine?
The InChIKey is ZYHJFRUTYGDQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-10-19-15-9-8-14(11-16(15)18-4)12(2)6-7-13(3)17/h8-9,11-13H,5-7,10,17H2,1-4H3.
What are the key properties of 5-(3-methoxy-4-propoxyphenyl)hexan-2-amine?
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-propoxyphenyl)hexan-2-amine is sourced from PubChem (CID 83938489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).