3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine

C18H29NO — CID 115792780

IUPAC3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCC1)c1ccccc1OC
InChIInChI=1S/C18H29NO/c1-3-14-19-17(13-12-15-8-4-5-9-15)16-10-6-7-11-18(16)20-2/h6-7,10-11,15,17,19H,3-5,8-9,12-14H2,1-2H3
InChIKeyZSWQIURHJZJXOM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.71
Rot. Bonds8

About 3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine

3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine (PubChem CID 115792780) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
PubChem CID115792780
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCC1)c1ccccc1OC
InChIInChI=1S/C18H29NO/c1-3-14-19-17(13-12-15-8-4-5-9-15)16-10-6-7-11-18(16)20-2/h6-7,10-11,15,17,19H,3-5,8-9,12-14H2,1-2H3
InChIKeyZSWQIURHJZJXOM-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
CID 104995107
1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995108
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 55040870
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115847444
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine (CID 115792780) is 3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine is CCCNC(CCC1CCCC1)c1ccccc1OC.
What is the InChIKey of 3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is ZSWQIURHJZJXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-14-19-17(13-12-15-8-4-5-9-15)16-10-6-7-11-18(16)20-2/h6-7,10-11,15,17,19H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine?
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 115792780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).