1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine

C16H25NO — CID 117371916

IUPAC1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine
SMILESCCC(CC)c1ccc(OC)c(C2(N)CCC2)c1
InChIInChI=1S/C16H25NO/c1-4-12(5-2)13-7-8-15(18-3)14(11-13)16(17)9-6-10-16/h7-8,11-12H,4-6,9-10,17H2,1-3H3
InChIKeyVWRULXIXDVYFTH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.94
Rot. Bonds5

About 1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine

1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine (PubChem CID 117371916) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine
PubChem CID117371916
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine
SMILESCCC(CC)c1ccc(OC)c(C2(N)CCC2)c1
InChIInChI=1S/C16H25NO/c1-4-12(5-2)13-7-8-15(18-3)14(11-13)16(17)9-6-10-16/h7-8,11-12H,4-6,9-10,17H2,1-3H3
InChIKeyVWRULXIXDVYFTH-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117408720
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
CID 117320262
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine
CID 117402785
1-(4-pentan-3-ylphenyl)cyclopentan-1-amine
CID 117335251
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
CID 117343241
2-methoxy-5-pentan-3-ylbenzonitrile
CID 117291789
1-(2-ethoxy-5-methylphenyl)cyclobutan-1-amine
CID 117293964

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine (CID 117371916) is 1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine is CCC(CC)c1ccc(OC)c(C2(N)CCC2)c1.
What is the InChIKey of 1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine?
The InChIKey is VWRULXIXDVYFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-12(5-2)13-7-8-15(18-3)14(11-13)16(17)9-6-10-16/h7-8,11-12H,4-6,9-10,17H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine?
1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117371916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).