1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine

C14H23NO2 — CID 62755079

IUPAC1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
SMILESCOc1ccc(OC)c(CC(N)CC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)7-12(15)8-11-9-13(16-3)5-6-14(11)17-4/h5-6,9-10,12H,7-8,15H2,1-4H3
InChIKeyFJAYLJORMGSJTP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.62
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine

1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine (PubChem CID 62755079) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
PubChem CID62755079
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
SMILESCOc1ccc(OC)c(CC(N)CC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)7-12(15)8-11-9-13(16-3)5-6-14(11)17-4/h5-6,9-10,12H,7-8,15H2,1-4H3
InChIKeyFJAYLJORMGSJTP-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
CID 54930560
3-(2,5-dimethoxyphenyl)-2-methylpropane-1-thiol
CID 83938199
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine
CID 82262391
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene
CID 146004697
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
N-(2-amino-4-methylpentyl)-2,5-dimethoxybenzamide
CID 107158831
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 112508412
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine (CID 62755079) is 1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine is COc1ccc(OC)c(CC(N)CC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine?
The InChIKey is FJAYLJORMGSJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)7-12(15)8-11-9-13(16-3)5-6-14(11)17-4/h5-6,9-10,12H,7-8,15H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine?
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.62, 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)-4-methylpentan-2-amine is sourced from PubChem (CID 62755079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).