3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine

C17H27NO2 — CID 104995107

IUPAC3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CC1)c1cc(OC)ccc1OC
InChIInChI=1S/C17H27NO2/c1-4-11-18-16(9-7-13-5-6-13)15-12-14(19-2)8-10-17(15)20-3/h8,10,12-13,16,18H,4-7,9,11H2,1-3H3
InChIKeyYPICYHIVJFVNLZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds9

About 3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine

3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine (PubChem CID 104995107) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
PubChem CID104995107
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CC1)c1cc(OC)ccc1OC
InChIInChI=1S/C17H27NO2/c1-4-11-18-16(9-7-13-5-6-13)15-12-14(19-2)8-10-17(15)20-3/h8,10,12-13,16,18H,4-7,9,11H2,1-3H3
InChIKeyYPICYHIVJFVNLZ-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995108
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine
CID 104987020
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 106200526
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115850153
N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030066
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine (CID 104995107) is 3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine is CCCNC(CCC1CC1)c1cc(OC)ccc1OC.
What is the InChIKey of 3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is YPICYHIVJFVNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-11-18-16(9-7-13-5-6-13)15-12-14(19-2)8-10-17(15)20-3/h8,10,12-13,16,18H,4-7,9,11H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine?
3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 104995107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).