1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine

C14H23NO2 — CID 43489495

IUPAC1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(OC)ccc1OC)C(C)C
InChIInChI=1S/C14H23NO2/c1-6-15-14(10(2)3)12-9-11(16-4)7-8-13(12)17-5/h7-10,14-15H,6H2,1-5H3
InChIKeyZFNGPMACTHYGDL-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.01
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine

1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 43489495) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID43489495
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(OC)ccc1OC)C(C)C
InChIInChI=1S/C14H23NO2/c1-6-15-14(10(2)3)12-9-11(16-4)7-8-13(12)17-5/h7-10,14-15H,6H2,1-5H3
InChIKeyZFNGPMACTHYGDL-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
CID 43481972
[1-(2,5-dimethoxyphenyl)-2-methylpropyl]hydrazine
CID 105199640
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66478019
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43492723
1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine
CID 79616097
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine
CID 62865686
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489510

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine (CID 43489495) is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cc(OC)ccc1OC)C(C)C.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is ZFNGPMACTHYGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-15-14(10(2)3)12-9-11(16-4)7-8-13(12)17-5/h7-10,14-15H,6H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.01, 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)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 43489495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).