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

C18H29NO — CID 82933866

IUPAC2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccccc1OC)C1CCCC1
InChIInChI=1S/C18H29NO/c1-3-12-19-14-17(15-8-4-5-9-15)13-16-10-6-7-11-18(16)20-2/h6-7,10-11,15,17,19H,3-5,8-9,12-14H2,1-2H3
InChIKeyRUAWXIGKMYFWIW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds8

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

2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine (PubChem CID 82933866) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
PubChem CID82933866
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccccc1OC)C1CCCC1
InChIInChI=1S/C18H29NO/c1-3-12-19-14-17(15-8-4-5-9-15)13-16-10-6-7-11-18(16)20-2/h6-7,10-11,15,17,19H,3-5,8-9,12-14H2,1-2H3
InChIKeyRUAWXIGKMYFWIW-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 112569956
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711
N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine
CID 62514068
N-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62106999
4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 64664350
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine (CID 82933866) is 2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine is CCCNCC(Cc1ccccc1OC)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is RUAWXIGKMYFWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-12-19-14-17(15-8-4-5-9-15)13-16-10-6-7-11-18(16)20-2/h6-7,10-11,15,17,19H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine?
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 82933866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).