4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline

C17H27NO — CID 103561671

IUPAC4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NC1CC(C(C)C)C1
InChIInChI=1S/C17H27NO/c1-5-8-19-17-9-13(4)6-7-16(17)18-15-10-14(11-15)12(2)3/h6-7,9,12,14-15,18H,5,8,10-11H2,1-4H3
InChIKeyFRUKPRRIMAOKEB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.63
Rot. Bonds6

About 4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline

4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline (PubChem CID 103561671) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline.

Molecular Properties

Compound Name4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
PubChem CID103561671
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NC1CC(C(C)C)C1
InChIInChI=1S/C17H27NO/c1-5-8-19-17-9-13(4)6-7-16(17)18-15-10-14(11-15)12(2)3/h6-7,9,12,14-15,18H,5,8,10-11H2,1-4H3
InChIKeyFRUKPRRIMAOKEB-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylcyclohexyl)-4-methyl-2-propoxyaniline
CID 64753195
N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
CID 64501327
4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083053
4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine
CID 62981319
1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
CID 60935911
4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
CID 65045783
N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide
CID 61063068
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60934556

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline?
The IUPAC name of 4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline (CID 103561671) is 4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline.
What is the SMILES notation for 4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline?
The canonical SMILES for 4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline is CCCOc1cc(C)ccc1NC1CC(C(C)C)C1.
What is the InChIKey of 4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline?
The InChIKey is FRUKPRRIMAOKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-8-19-17-9-13(4)6-7-16(17)18-15-10-14(11-15)12(2)3/h6-7,9,12,14-15,18H,5,8,10-11H2,1-4H3.
What are the key properties of 4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline?
4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline has a molecular weight of 261.41 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline is sourced from PubChem (CID 103561671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).