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

C14H23NO2 — CID 112508412

IUPAC2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc(OC)c(C(CN)CC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)7-11(9-15)13-8-12(16-3)5-6-14(13)17-4/h5-6,8,10-11H,7,9,15H2,1-4H3
InChIKeyOPKIAVNNRBBUAV-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.79
Rot. Bonds6

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

2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine (PubChem CID 112508412) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
PubChem CID112508412
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc(OC)c(C(CN)CC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)7-11(9-15)13-8-12(16-3)5-6-14(13)17-4/h5-6,8,10-11H,7,9,15H2,1-4H3
InChIKeyOPKIAVNNRBBUAV-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069
2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine
CID 82141576
2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine
CID 112509189
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
CID 112509381
1-(2,5-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 16642878
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
2-(aminomethyl)-5-(2,5-dimethoxyphenyl)-4-methylhexanoic acid
CID 69267988
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079
1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571892
1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 60970630

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine (CID 112508412) is 2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine is COc1ccc(OC)c(C(CN)CC(C)C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine?
The InChIKey is OPKIAVNNRBBUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)7-11(9-15)13-8-12(16-3)5-6-14(13)17-4/h5-6,8,10-11H,7,9,15H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine?
2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.79, 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)-4-methylpentan-1-amine is sourced from PubChem (CID 112508412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).