3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine

C15H23NO — CID 114520483

IUPAC3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1ccc(OC2CC2)cc1
InChIInChI=1S/C15H23NO/c1-15(2,10-11-16-3)12-4-6-13(7-5-12)17-14-8-9-14/h4-7,14,16H,8-11H2,1-3H3
InChIKeyMPUHAQWEOJICAI-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.11
Rot. Bonds6

About 3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine

3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine (PubChem CID 114520483) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine
PubChem CID114520483
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1ccc(OC2CC2)cc1
InChIInChI=1S/C15H23NO/c1-15(2,10-11-16-3)12-4-6-13(7-5-12)17-14-8-9-14/h4-7,14,16H,8-11H2,1-3H3
InChIKeyMPUHAQWEOJICAI-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine (CID 114520483) is 3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine is CNCCC(C)(C)c1ccc(OC2CC2)cc1.
What is the InChIKey of 3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is MPUHAQWEOJICAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,10-11-16-3)12-4-6-13(7-5-12)17-14-8-9-14/h4-7,14,16H,8-11H2,1-3H3.
What are the key properties of 3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine?
3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 114520483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).