3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine

C17H27NO — CID 66350890

IUPAC3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(C(C)C)ccc2C)C1
InChIInChI=1S/C17H27NO/c1-5-8-18-15-10-16(11-15)19-17-9-14(12(2)3)7-6-13(17)4/h6-7,9,12,15-16,18H,5,8,10-11H2,1-4H3
InChIKeyPLUPOTKISLOLKS-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.03
Rot. Bonds6

About 3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine

3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine (PubChem CID 66350890) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
PubChem CID66350890
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(C(C)C)ccc2C)C1
InChIInChI=1S/C17H27NO/c1-5-8-18-15-10-16(11-15)19-17-9-14(12(2)3)7-6-13(17)4/h6-7,9,12,15-16,18H,5,8,10-11H2,1-4H3
InChIKeyPLUPOTKISLOLKS-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol
CID 107942562
3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358261
3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 107727232
N-ethyl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 155215060
2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine
CID 66351324
3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66351549
3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine
CID 79642895
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine (CID 66350890) is 3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cc(C(C)C)ccc2C)C1.
What is the InChIKey of 3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is PLUPOTKISLOLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-8-18-15-10-16(11-15)19-17-9-14(12(2)3)7-6-13(17)4/h6-7,9,12,15-16,18H,5,8,10-11H2,1-4H3.
What are the key properties of 3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine?
3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66350890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).