N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine

C15H23NO — CID 62484643

IUPACN-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine
SMILESCCc1ccccc1OCC(C)CNC1CC1
InChIInChI=1S/C15H23NO/c1-3-13-6-4-5-7-15(13)17-11-12(2)10-16-14-8-9-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyHGJHMJKBFALOCW-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.02
Rot. Bonds7

About N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine

N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine (PubChem CID 62484643) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine
PubChem CID62484643
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine
SMILESCCc1ccccc1OCC(C)CNC1CC1
InChIInChI=1S/C15H23NO/c1-3-13-6-4-5-7-15(13)17-11-12(2)10-16-14-8-9-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyHGJHMJKBFALOCW-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
CID 62450901
2-(cyclopropylamino)-3-(2-ethylphenoxy)propan-1-ol
CID 64806250
N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066925
N-[2-(2-ethylphenoxy)-2-phenylethyl]cyclopropanamine
CID 62485001
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653
1-cyclopropyl-N-ethyl-2-(2-ethylphenoxy)ethanamine
CID 63906895
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine (CID 62484643) is N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine is CCc1ccccc1OCC(C)CNC1CC1.
What is the InChIKey of N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine?
The InChIKey is HGJHMJKBFALOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-13-6-4-5-7-15(13)17-11-12(2)10-16-14-8-9-14/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine?
N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine has a molecular weight of 233.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 62484643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).