N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine

C18H27NO — CID 60920137

IUPACN-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NCCC3CCCC3)C2)cc1
InChIInChI=1S/C18H27NO/c1-20-18-8-6-15(7-9-18)16-12-17(13-16)19-11-10-14-4-2-3-5-14/h6-9,14,16-17,19H,2-5,10-13H2,1H3
InChIKeyQFUVVTDKJDMRJB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.11
Rot. Bonds6

About N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine

N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine (PubChem CID 60920137) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
PubChem CID60920137
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NCCC3CCCC3)C2)cc1
InChIInChI=1S/C18H27NO/c1-20-18-8-6-15(7-9-18)16-12-17(13-16)19-11-10-14-4-2-3-5-14/h6-9,14,16-17,19H,2-5,10-13H2,1H3
InChIKeyQFUVVTDKJDMRJB-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186
3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 43634596
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 106209695
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 81395845
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine (CID 60920137) is N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine is COc1ccc(C2CC(NCCC3CCCC3)C2)cc1.
What is the InChIKey of N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is QFUVVTDKJDMRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-20-18-8-6-15(7-9-18)16-12-17(13-16)19-11-10-14-4-2-3-5-14/h6-9,14,16-17,19H,2-5,10-13H2,1H3.
What are the key properties of N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine?
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 60920137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).