3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine

C17H27NO — CID 79642895

IUPAC3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Oc2ccccc2C(C)C)C1
InChIInChI=1S/C17H27NO/c1-4-11-18-14-9-10-15(12-14)19-17-8-6-5-7-16(17)13(2)3/h5-8,13-15,18H,4,9-12H2,1-3H3
InChIKeyZBGFKWHUNIDCTM-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.11
Rot. Bonds6

About 3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine

3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine (PubChem CID 79642895) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine
PubChem CID79642895
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Oc2ccccc2C(C)C)C1
InChIInChI=1S/C17H27NO/c1-4-11-18-14-9-10-15(12-14)19-17-8-6-5-7-16(17)13(2)3/h5-8,13-15,18H,4,9-12H2,1-3H3
InChIKeyZBGFKWHUNIDCTM-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine
CID 79643366
N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 79618563
1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
CID 64763669
N-propyl-3-quinolin-5-yloxycyclopentan-1-amine
CID 103044462
3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
CID 79632348
1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
CID 64764405
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454
N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 63476148
N-[3-(2-propoxyphenyl)butyl]cyclopropanamine
CID 113438607
3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
CID 66350890
1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine
CID 43315030
3-(2-butan-2-ylphenoxy)cyclopentan-1-amine
CID 79643132

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine (CID 79642895) is 3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine is CCCNC1CCC(Oc2ccccc2C(C)C)C1.
What is the InChIKey of 3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine?
The InChIKey is ZBGFKWHUNIDCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-11-18-14-9-10-15(12-14)19-17-8-6-5-7-16(17)13(2)3/h5-8,13-15,18H,4,9-12H2,1-3H3.
What are the key properties of 3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine?
3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79642895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).