1-(2,5-dimethoxyphenyl)pentan-2-amine

C13H21NO2 — CID 82255255

IUPAC1-(2,5-dimethoxyphenyl)pentan-2-amine
SMILESCCCC(N)Cc1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO2/c1-4-5-11(14)8-10-9-12(15-2)6-7-13(10)16-3/h6-7,9,11H,4-5,8,14H2,1-3H3
InChIKeyUBOLGYXBELUWCM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.37
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)pentan-2-amine

1-(2,5-dimethoxyphenyl)pentan-2-amine (PubChem CID 82255255) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)pentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)pentan-2-amine
PubChem CID82255255
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2,5-dimethoxyphenyl)pentan-2-amine
SMILESCCCC(N)Cc1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO2/c1-4-5-11(14)8-10-9-12(15-2)6-7-13(10)16-3/h6-7,9,11H,4-5,8,14H2,1-3H3
InChIKeyUBOLGYXBELUWCM-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
CID 84752870
1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885471
1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
CID 54930560
1,4-dimethoxy-2-(2-octadecylicosyl)benzene
CID 19875610
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene
CID 146004697
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)pentan-2-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)pentan-2-amine (CID 82255255) is 1-(2,5-dimethoxyphenyl)pentan-2-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)pentan-2-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)pentan-2-amine is CCCC(N)Cc1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)pentan-2-amine?
The InChIKey is UBOLGYXBELUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-5-11(14)8-10-9-12(15-2)6-7-13(10)16-3/h6-7,9,11H,4-5,8,14H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)pentan-2-amine?
1-(2,5-dimethoxyphenyl)pentan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)pentan-2-amine is sourced from PubChem (CID 82255255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).