1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine

C18H31NO2 — CID 105028317

IUPAC1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cc(OC)ccc1OC
InChIInChI=1S/C18H31NO2/c1-6-11-19-17(12-14(7-2)8-3)16-13-15(20-4)9-10-18(16)21-5/h9-10,13-14,17,19H,6-8,11-12H2,1-5H3
InChIKeyCGUMGCMKXKVIDN-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.57
Rot. Bonds10

About 1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine

1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine (PubChem CID 105028317) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
PubChem CID105028317
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cc(OC)ccc1OC
InChIInChI=1S/C18H31NO2/c1-6-11-19-17(12-14(7-2)8-3)16-13-15(20-4)9-10-18(16)21-5/h9-10,13-14,17,19H,6-8,11-12H2,1-5H3
InChIKeyCGUMGCMKXKVIDN-UHFFFAOYSA-N
XLogP4.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327
3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
CID 104995107
N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030066
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
CID 79308493
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine
CID 104987020
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
1-(5-chloro-2-methoxyphenyl)-N,3-diethylpentan-1-amine
CID 105028250
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine (CID 105028317) is 1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine?
The InChIKey is CGUMGCMKXKVIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-11-19-17(12-14(7-2)8-3)16-13-15(20-4)9-10-18(16)21-5/h9-10,13-14,17,19H,6-8,11-12H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine?
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine is sourced from PubChem (CID 105028317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).