2-(2,5-dimethoxyphenyl)hexan-3-amine

C14H23NO2 — CID 83047231

IUPAC2-(2,5-dimethoxyphenyl)hexan-3-amine
SMILESCCCC(N)C(C)c1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-6-13(15)10(2)12-9-11(16-3)7-8-14(12)17-4/h7-10,13H,5-6,15H2,1-4H3
InChIKeyCENFSFSRZCLNQR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.93
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)hexan-3-amine

2-(2,5-dimethoxyphenyl)hexan-3-amine (PubChem CID 83047231) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)hexan-3-amine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)hexan-3-amine
PubChem CID83047231
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(2,5-dimethoxyphenyl)hexan-3-amine
SMILESCCCC(N)C(C)c1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-6-13(15)10(2)12-9-11(16-3)7-8-14(12)17-4/h7-10,13H,5-6,15H2,1-4H3
InChIKeyCENFSFSRZCLNQR-UHFFFAOYSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466
1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571892
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
CID 79308493
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)hexan-3-amine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)hexan-3-amine (CID 83047231) is 2-(2,5-dimethoxyphenyl)hexan-3-amine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)hexan-3-amine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)hexan-3-amine is CCCC(N)C(C)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)hexan-3-amine?
The InChIKey is CENFSFSRZCLNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-6-13(15)10(2)12-9-11(16-3)7-8-14(12)17-4/h7-10,13H,5-6,15H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)hexan-3-amine?
2-(2,5-dimethoxyphenyl)hexan-3-amine has a molecular weight of 237.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)hexan-3-amine is sourced from PubChem (CID 83047231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).