3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline

C17H27NO — CID 103561868

IUPAC3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCCC(C)Oc1cccc(NC2CC(C(C)C)C2)c1
InChIInChI=1S/C17H27NO/c1-5-13(4)19-17-8-6-7-15(11-17)18-16-9-14(10-16)12(2)3/h6-8,11-14,16,18H,5,9-10H2,1-4H3
InChIKeyZQDZMPUAHIMZQJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.71
Rot. Bonds6

About 3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline

3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline (PubChem CID 103561868) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
PubChem CID103561868
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCCC(C)Oc1cccc(NC2CC(C(C)C)C2)c1
InChIInChI=1S/C17H27NO/c1-5-13(4)19-17-8-6-7-15(11-17)18-16-9-14(10-16)12(2)3/h6-8,11-14,16,18H,5,9-10H2,1-4H3
InChIKeyZQDZMPUAHIMZQJ-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-butan-2-yloxyanilino)cyclohexan-1-ol
CID 106594573
N-(3-butan-2-yloxyphenyl)piperidin-4-amine
CID 62325027
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 62326820
(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
CID 98509677
3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633972
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
N-(3-butan-2-yloxyphenyl)-2-(cyclopropylamino)acetamide
CID 62327374
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
3-(3-butan-2-yloxyanilino)azepan-2-one
CID 61494916
3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561413
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline?
The IUPAC name of 3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline (CID 103561868) is 3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline?
The canonical SMILES for 3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline is CCC(C)Oc1cccc(NC2CC(C(C)C)C2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline?
The InChIKey is ZQDZMPUAHIMZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-13(4)19-17-8-6-7-15(11-17)18-16-9-14(10-16)12(2)3/h6-8,11-14,16,18H,5,9-10H2,1-4H3.
What are the key properties of 3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline?
3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline has a molecular weight of 261.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline is sourced from PubChem (CID 103561868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).