N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine

C17H27NO — CID 62454910

IUPACN-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-15(12-18-14-8-9-14)19-16-10-6-13(7-11-16)17(2,3)4/h6-7,10-11,14-15,18H,5,8-9,12H2,1-4H3
InChIKeyQKOJNMFWCLJHDQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine

N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine (PubChem CID 62454910) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine
PubChem CID62454910
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-15(12-18-14-8-9-14)19-16-10-6-13(7-11-16)17(2,3)4/h6-7,10-11,14-15,18H,5,8-9,12H2,1-4H3
InChIKeyQKOJNMFWCLJHDQ-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
CID 83044258
N-(2-phenoxybutyl)cyclopentanamine
CID 54798929
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
CID 63491138
3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline
CID 62485952
N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
CID 103228649
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine (CID 62454910) is N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine is CCC(CNC1CC1)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine?
The InChIKey is QKOJNMFWCLJHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-15(12-18-14-8-9-14)19-16-10-6-13(7-11-16)17(2,3)4/h6-7,10-11,14-15,18H,5,8-9,12H2,1-4H3.
What are the key properties of N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine?
N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62454910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).