N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine

C18H27NO — CID 62595731

IUPACN-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine
SMILESCC(C)COc1ccc(C2(CNC3CC3)CCC2)cc1
InChIInChI=1S/C18H27NO/c1-14(2)12-20-17-8-4-15(5-9-17)18(10-3-11-18)13-19-16-6-7-16/h4-5,8-9,14,16,19H,3,6-7,10-13H2,1-2H3
InChIKeyJOZOLUCITJOOPF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.90
Rot. Bonds7

About N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine

N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine (PubChem CID 62595731) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine
PubChem CID62595731
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine
SMILESCC(C)COc1ccc(C2(CNC3CC3)CCC2)cc1
InChIInChI=1S/C18H27NO/c1-14(2)12-20-17-8-4-15(5-9-17)18(10-3-11-18)13-19-16-6-7-16/h4-5,8-9,14,16,19H,3,6-7,10-13H2,1-2H3
InChIKeyJOZOLUCITJOOPF-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 62594810
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 63512101
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine
CID 62595732
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1120192
N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine
CID 62594253
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
4-[[1-(4-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030564
N-[(1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
CID 62595338
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 65016920

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine (CID 62595731) is N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine is CC(C)COc1ccc(C2(CNC3CC3)CCC2)cc1.
What is the InChIKey of N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine?
The InChIKey is JOZOLUCITJOOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(2)12-20-17-8-4-15(5-9-17)18(10-3-11-18)13-19-16-6-7-16/h4-5,8-9,14,16,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine?
N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 62595731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).