N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine

C17H25NO — CID 106205044

IUPACN-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine
SMILESc1ccc(C(CNC2CC2)OCCC2CCC2)cc1
InChIInChI=1S/C17H25NO/c1-2-7-15(8-3-1)17(13-18-16-9-10-16)19-12-11-14-5-4-6-14/h1-3,7-8,14,16-18H,4-6,9-13H2
InChIKeyAXRZODZHNFSKGG-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds8

About N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine

N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine (PubChem CID 106205044) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine
PubChem CID106205044
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine
SMILESc1ccc(C(CNC2CC2)OCCC2CCC2)cc1
InChIInChI=1S/C17H25NO/c1-2-7-15(8-3-1)17(13-18-16-9-10-16)19-12-11-14-5-4-6-14/h1-3,7-8,14,16-18H,4-6,9-13H2
InChIKeyAXRZODZHNFSKGG-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-phenyl-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82959482
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204926
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
CID 106204975
N-[2-phenyl-2-(2-thiophen-2-ylethoxy)ethyl]cyclopropanamine
CID 62486353
N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine
CID 106205093
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
CID 62107918
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 106205144
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051
N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 66321628

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine (CID 106205044) is N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine is c1ccc(C(CNC2CC2)OCCC2CCC2)cc1.
What is the InChIKey of N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine?
The InChIKey is AXRZODZHNFSKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-7-15(8-3-1)17(13-18-16-9-10-16)19-12-11-14-5-4-6-14/h1-3,7-8,14,16-18H,4-6,9-13H2.
What are the key properties of N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine?
N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 106205044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).