3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride

C13H18ClNO — CID 167635721

IUPAC3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Oc2cccc(C3CC3)c2)C1
InChIInChI=1S/C13H17NO.ClH/c14-11-7-13(8-11)15-12-3-1-2-10(6-12)9-4-5-9;/h1-3,6,9,11,13H,4-5,7-8,14H2;1H
InChIKeyRMTFCOLTVDNIKY-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.85
Rot. Bonds3

About 3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride

3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride (PubChem CID 167635721) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride
PubChem CID167635721
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Oc2cccc(C3CC3)c2)C1
InChIInChI=1S/C13H17NO.ClH/c14-11-7-13(8-11)15-12-3-1-2-10(6-12)9-4-5-9;/h1-3,6,9,11,13H,4-5,7-8,14H2;1H
InChIKeyRMTFCOLTVDNIKY-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride (CID 167635721) is 3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride is Cl.NC1CC(Oc2cccc(C3CC3)c2)C1.
What is the InChIKey of 3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride?
The InChIKey is RMTFCOLTVDNIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.ClH/c14-11-7-13(8-11)15-12-3-1-2-10(6-12)9-4-5-9;/h1-3,6,9,11,13H,4-5,7-8,14H2;1H.
What are the key properties of 3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride?
3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylphenoxy)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 167635721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).