2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine

C18H29NO — CID 106200916

IUPAC2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(N)COCCC2CCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)12-16-6-8-17(9-7-16)18(19)13-20-11-10-15-4-3-5-15/h6-9,14-15,18H,3-5,10-13,19H2,1-2H3
InChIKeyUYIXQESOVOSTOG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.09
Rot. Bonds8

About 2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine

2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 106200916) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID106200916
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(N)COCCC2CCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)12-16-6-8-17(9-7-16)18(19)13-20-11-10-15-4-3-5-15/h6-9,14-15,18H,3-5,10-13,19H2,1-2H3
InChIKeyUYIXQESOVOSTOG-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine
CID 114157406
2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
CID 114157408
2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
CID 106200830
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200742
2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64625982
N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63631762
1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
CID 63558840
1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275431
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885
2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103283433
2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 106201119

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 106200916) is 2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(C(N)COCCC2CCC2)cc1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is UYIXQESOVOSTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)12-16-6-8-17(9-7-16)18(19)13-20-11-10-15-4-3-5-15/h6-9,14-15,18H,3-5,10-13,19H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 106200916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).