N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine

C17H25NO — CID 104663455

IUPACN-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine
SMILESCCCOc1ccccc1C1CCC1CNC1CC1
InChIInChI=1S/C17H25NO/c1-2-11-19-17-6-4-3-5-16(17)15-10-7-13(15)12-18-14-8-9-14/h3-6,13-15,18H,2,7-12H2,1H3
InChIKeyFZXXOEKLPACGFK-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.72
Rot. Bonds7

About N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 104663455) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine
PubChem CID104663455
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine
SMILESCCCOc1ccccc1C1CCC1CNC1CC1
InChIInChI=1S/C17H25NO/c1-2-11-19-17-6-4-3-5-16(17)15-10-7-13(15)12-18-14-8-9-14/h3-6,13-15,18H,2,7-12H2,1H3
InChIKeyFZXXOEKLPACGFK-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81034431
2-methyl-N-[[2-(2-propoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 104663485
N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine
CID 104662798
2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
CID 104662479
N-[2-[(2-propoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066359
N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
CID 104663479
1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
N-[3-(2-propoxyphenyl)butyl]cyclopropanamine
CID 113438607
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
CID 79628062
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine
CID 113438529

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine (CID 104663455) is N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine is CCCOc1ccccc1C1CCC1CNC1CC1.
What is the InChIKey of N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is FZXXOEKLPACGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-11-19-17-6-4-3-5-16(17)15-10-7-13(15)12-18-14-8-9-14/h3-6,13-15,18H,2,7-12H2,1H3.
What are the key properties of N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 104663455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).