2-methoxy-1-(2-methoxyphenyl)pentan-1-amine

C13H21NO2 — CID 116718510

IUPAC2-methoxy-1-(2-methoxyphenyl)pentan-1-amine
SMILESCCCC(OC)C(N)c1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-4-7-12(16-3)13(14)10-8-5-6-9-11(10)15-2/h5-6,8-9,12-13H,4,7,14H2,1-3H3
InChIKeyZPDXUCRTUSKMLU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds6

About 2-methoxy-1-(2-methoxyphenyl)pentan-1-amine

2-methoxy-1-(2-methoxyphenyl)pentan-1-amine (PubChem CID 116718510) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxyphenyl)pentan-1-amine
PubChem CID116718510
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-methoxy-1-(2-methoxyphenyl)pentan-1-amine
SMILESCCCC(OC)C(N)c1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-4-7-12(16-3)13(14)10-8-5-6-9-11(10)15-2/h5-6,8-9,12-13H,4,7,14H2,1-3H3
InChIKeyZPDXUCRTUSKMLU-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine
CID 114013501
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine
CID 116718489
1-(2-ethoxyphenyl)-2-methylpentan-1-amine
CID 115853638
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
[2-methoxy-1-[2-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105271821
3-(1-amino-2-methoxypentyl)pyridin-4-amine
CID 116718666
1-(2-chloro-3-methoxyphenyl)butan-1-amine
CID 86262887
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxyphenyl)pentan-1-amine?
The IUPAC name of 2-methoxy-1-(2-methoxyphenyl)pentan-1-amine (CID 116718510) is 2-methoxy-1-(2-methoxyphenyl)pentan-1-amine.
What is the SMILES notation for 2-methoxy-1-(2-methoxyphenyl)pentan-1-amine?
The canonical SMILES for 2-methoxy-1-(2-methoxyphenyl)pentan-1-amine is CCCC(OC)C(N)c1ccccc1OC.
What is the InChIKey of 2-methoxy-1-(2-methoxyphenyl)pentan-1-amine?
The InChIKey is ZPDXUCRTUSKMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-7-12(16-3)13(14)10-8-5-6-9-11(10)15-2/h5-6,8-9,12-13H,4,7,14H2,1-3H3.
What are the key properties of 2-methoxy-1-(2-methoxyphenyl)pentan-1-amine?
2-methoxy-1-(2-methoxyphenyl)pentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxyphenyl)pentan-1-amine is sourced from PubChem (CID 116718510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).