N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine

C13H19NO — CID 43364345

IUPACN-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
SMILESCCc1ccccc1OCCNC1CC1
InChIInChI=1S/C13H19NO/c1-2-11-5-3-4-6-13(11)15-10-9-14-12-7-8-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyJGHBIMXMBBNSDV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine

N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine (PubChem CID 43364345) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
PubChem CID43364345
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
SMILESCCc1ccccc1OCCNC1CC1
InChIInChI=1S/C13H19NO/c1-2-11-5-3-4-6-13(11)15-10-9-14-12-7-8-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyJGHBIMXMBBNSDV-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine
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2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066925
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 55093327
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine (CID 43364345) is N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine is CCc1ccccc1OCCNC1CC1.
What is the InChIKey of N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine?
The InChIKey is JGHBIMXMBBNSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-11-5-3-4-6-13(11)15-10-9-14-12-7-8-12/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine?
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine has a molecular weight of 205.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 43364345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).