3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline

C15H23NO2 — CID 103560756

IUPAC3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCOc1cc(NC2CC(C(C)C)C2)cc(OC)c1
InChIInChI=1S/C15H23NO2/c1-10(2)11-5-12(6-11)16-13-7-14(17-3)9-15(8-13)18-4/h7-12,16H,5-6H2,1-4H3
InChIKeyWBZKYFPNHUYEPW-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.55
Rot. Bonds5

About 3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline

3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline (PubChem CID 103560756) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline
PubChem CID103560756
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCOc1cc(NC2CC(C(C)C)C2)cc(OC)c1
InChIInChI=1S/C15H23NO2/c1-10(2)11-5-12(6-11)16-13-7-14(17-3)9-15(8-13)18-4/h7-12,16H,5-6H2,1-4H3
InChIKeyWBZKYFPNHUYEPW-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103739089
N-(1-cyclopentylethyl)-3,5-dimethoxyaniline
CID 62632607
N-(3-bromo-5-methoxyphenyl)-2,6-dimethyloxan-4-amine
CID 82858168
3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561868
N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
CID 176696090
2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561268
4-iodo-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560994
N-(dicyclopropylmethyl)-3,5-dimethoxyaniline
CID 43173321
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
3-bromo-N-cyclohexyl-5-methoxyaniline
CID 82857692
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
3-bromo-N-(3,4-dimethylcyclohexyl)-5-methoxyaniline
CID 82858459

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline?
The IUPAC name of 3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline (CID 103560756) is 3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline.
What is the SMILES notation for 3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline?
The canonical SMILES for 3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline is COc1cc(NC2CC(C(C)C)C2)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline?
The InChIKey is WBZKYFPNHUYEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)11-5-12(6-11)16-13-7-14(17-3)9-15(8-13)18-4/h7-12,16H,5-6H2,1-4H3.
What are the key properties of 3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline?
3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline has a molecular weight of 249.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline is sourced from PubChem (CID 103560756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).