N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine

C18H29NO — CID 103273548

IUPACN-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
SMILESCCc1ccc(OC2(CCNC(C)(C)C)CCC2)cc1
InChIInChI=1S/C18H29NO/c1-5-15-7-9-16(10-8-15)20-18(11-6-12-18)13-14-19-17(2,3)4/h7-10,19H,5-6,11-14H2,1-4H3
InChIKeyVXBFINLLEHCHGL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.33
Rot. Bonds6

About N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine

N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine (PubChem CID 103273548) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
PubChem CID103273548
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
SMILESCCc1ccc(OC2(CCNC(C)(C)C)CCC2)cc1
InChIInChI=1S/C18H29NO/c1-5-15-7-9-16(10-8-15)20-18(11-6-12-18)13-14-19-17(2,3)4/h7-10,19H,5-6,11-14H2,1-4H3
InChIKeyVXBFINLLEHCHGL-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine (CID 103273548) is N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine is CCc1ccc(OC2(CCNC(C)(C)C)CCC2)cc1.
What is the InChIKey of N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is VXBFINLLEHCHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-15-7-9-16(10-8-15)20-18(11-6-12-18)13-14-19-17(2,3)4/h7-10,19H,5-6,11-14H2,1-4H3.
What are the key properties of N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103273548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).