N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine

C13H18ClNO — CID 43247811

IUPACN-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
SMILESCCc1cc(OCCNC2CC2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-2-10-9-12(5-6-13(10)14)16-8-7-15-11-3-4-11/h5-6,9,11,15H,2-4,7-8H2,1H3
InChIKeyNCTSMSIMCCDKDT-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine

N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine (PubChem CID 43247811) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
PubChem CID43247811
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
SMILESCCc1cc(OCCNC2CC2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-2-10-9-12(5-6-13(10)14)16-8-7-15-11-3-4-11/h5-6,9,11,15H,2-4,7-8H2,1H3
InChIKeyNCTSMSIMCCDKDT-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.03
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-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63504887
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
CID 2184559
4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
CID 62484830
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
CID 83044546
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63516682
1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
CID 30135289

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine (CID 43247811) is N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine is CCc1cc(OCCNC2CC2)ccc1Cl.
What is the InChIKey of N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine?
The InChIKey is NCTSMSIMCCDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-10-9-12(5-6-13(10)14)16-8-7-15-11-3-4-11/h5-6,9,11,15H,2-4,7-8H2,1H3.
What are the key properties of N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine?
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine has a molecular weight of 239.75 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 43247811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).