N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine

C17H25NO — CID 63987431

IUPACN-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NC(C)CC2CC2)C1
InChIInChI=1S/C17H25NO/c1-12(9-13-7-8-13)18-15-10-14(11-15)16-5-3-4-6-17(16)19-2/h3-6,12-15,18H,7-11H2,1-2H3
InChIKeyCNRQXDCURZGZDS-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.72
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine

N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine (PubChem CID 63987431) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine
PubChem CID63987431
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NC(C)CC2CC2)C1
InChIInChI=1S/C17H25NO/c1-12(9-13-7-8-13)18-15-10-14(11-15)16-5-3-4-6-17(16)19-2/h3-6,12-15,18H,7-11H2,1-2H3
InChIKeyCNRQXDCURZGZDS-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine (CID 63987431) is N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine is COc1ccccc1C1CC(NC(C)CC2CC2)C1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is CNRQXDCURZGZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(9-13-7-8-13)18-15-10-14(11-15)16-5-3-4-6-17(16)19-2/h3-6,12-15,18H,7-11H2,1-2H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine?
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 63987431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).