4-(2,5-dimethoxyphenyl)pentan-2-amine

C13H21NO2 — CID 64720069

IUPAC4-(2,5-dimethoxyphenyl)pentan-2-amine
SMILESCOc1ccc(OC)c(C(C)CC(C)N)c1
InChIInChI=1S/C13H21NO2/c1-9(7-10(2)14)12-8-11(15-3)5-6-13(12)16-4/h5-6,8-10H,7,14H2,1-4H3
InChIKeySZPSTWZABJVJEJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.54
Rot. Bonds5

About 4-(2,5-dimethoxyphenyl)pentan-2-amine

4-(2,5-dimethoxyphenyl)pentan-2-amine (PubChem CID 64720069) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)pentan-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)pentan-2-amine
PubChem CID64720069
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(2,5-dimethoxyphenyl)pentan-2-amine
SMILESCOc1ccc(OC)c(C(C)CC(C)N)c1
InChIInChI=1S/C13H21NO2/c1-9(7-10(2)14)12-8-11(15-3)5-6-13(12)16-4/h5-6,8-10H,7,14H2,1-4H3
InChIKeySZPSTWZABJVJEJ-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
CID 83909628
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 112508412
2-[(Z)-hex-4-en-2-yl]-1,4-dimethoxybenzene
CID 83938264
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
2-(2,5-dimethoxyphenyl)hexan-3-amine
CID 83047231
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160952
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044751

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)pentan-2-amine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)pentan-2-amine (CID 64720069) is 4-(2,5-dimethoxyphenyl)pentan-2-amine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)pentan-2-amine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)pentan-2-amine is COc1ccc(OC)c(C(C)CC(C)N)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)pentan-2-amine?
The InChIKey is SZPSTWZABJVJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(7-10(2)14)12-8-11(15-3)5-6-13(12)16-4/h5-6,8-10H,7,14H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)pentan-2-amine?
4-(2,5-dimethoxyphenyl)pentan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)pentan-2-amine is sourced from PubChem (CID 64720069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).