1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine

C13H21NO2 — CID 43489494

IUPAC1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO2/c1-5-12(14-6-2)11-9-10(15-3)7-8-13(11)16-4/h7-9,12,14H,5-6H2,1-4H3
InChIKeyYRQVQMORSRDOIT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.76
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine

1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine (PubChem CID 43489494) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
PubChem CID43489494
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO2/c1-5-12(14-6-2)11-9-10(15-3)7-8-13(11)16-4/h7-9,12,14H,5-6H2,1-4H3
InChIKeyYRQVQMORSRDOIT-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
CID 64614286
1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 105037382
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987375
1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine
CID 64612970
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66478019
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine (CID 43489494) is 1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine is CCNC(CC)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine?
The InChIKey is YRQVQMORSRDOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-12(14-6-2)11-9-10(15-3)7-8-13(11)16-4/h7-9,12,14H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine?
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.76, 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-ethylpropan-1-amine is sourced from PubChem (CID 43489494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).