6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine

C16H27NO2 — CID 83938317

IUPAC6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
SMILESCCOc1ccc(C(C)CCC(N)CC)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-14(17)9-7-12(3)13-8-10-15(19-6-2)16(11-13)18-4/h8,10-12,14H,5-7,9,17H2,1-4H3
InChIKeyRAVWHDPLQREVNA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.71
Rot. Bonds8

About 6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine

6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine (PubChem CID 83938317) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine.

Molecular Properties

Compound Name6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
PubChem CID83938317
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
SMILESCCOc1ccc(C(C)CCC(N)CC)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-14(17)9-7-12(3)13-8-10-15(19-6-2)16(11-13)18-4/h8,10-12,14H,5-7,9,17H2,1-4H3
InChIKeyRAVWHDPLQREVNA-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

3-(4-ethoxy-3-methoxyphenyl)butane-1-thiol
CID 83938307
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene
CID 83938363
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
6-(2,5-diethoxyphenyl)heptan-3-amine
CID 83942784
6-(4-methoxyphenyl)heptan-3-amine
CID 83932078
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine?
The IUPAC name of 6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine (CID 83938317) is 6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine.
What is the SMILES notation for 6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine?
The canonical SMILES for 6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine is CCOc1ccc(C(C)CCC(N)CC)cc1OC.
What is the InChIKey of 6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine?
The InChIKey is RAVWHDPLQREVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-14(17)9-7-12(3)13-8-10-15(19-6-2)16(11-13)18-4/h8,10-12,14H,5-7,9,17H2,1-4H3.
What are the key properties of 6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine?
6-(4-ethoxy-3-methoxyphenyl)heptan-3-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 6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine is sourced from PubChem (CID 83938317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).