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

C19H31NO — CID 63491138

IUPACN-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
SMILESCCc1ccc(OC(CC)CNC2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-6-14-8-11-18(17(12-14)19(3,4)5)21-16(7-2)13-20-15-9-10-15/h8,11-12,15-16,20H,6-7,9-10,13H2,1-5H3
InChIKeyHMZAEALPWWNGCL-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.46
Rot. Bonds7

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

N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine (PubChem CID 63491138) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
PubChem CID63491138
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
SMILESCCc1ccc(OC(CC)CNC2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-6-14-8-11-18(17(12-14)19(3,4)5)21-16(7-2)13-20-15-9-10-15/h8,11-12,15-16,20H,6-7,9-10,13H2,1-5H3
InChIKeyHMZAEALPWWNGCL-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454910
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643
3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol
CID 64805124
N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
CID 114676931
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol
CID 63907234
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine
CID 55077501
N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine
CID 62451103
N-(2-phenoxybutyl)cyclopentanamine
CID 54798929

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine (CID 63491138) is N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine is CCc1ccc(OC(CC)CNC2CC2)c(C(C)(C)C)c1.
What is the InChIKey of N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine?
The InChIKey is HMZAEALPWWNGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-14-8-11-18(17(12-14)19(3,4)5)21-16(7-2)13-20-15-9-10-15/h8,11-12,15-16,20H,6-7,9-10,13H2,1-5H3.
What are the key properties of N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine?
N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine has a molecular weight of 289.46 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 63491138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).