2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine

C14H20ClNO — CID 65496464

IUPAC2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine
SMILESCCc1cc(OCC2(CCN)CC2)ccc1Cl
InChIInChI=1S/C14H20ClNO/c1-2-11-9-12(3-4-13(11)15)17-10-14(5-6-14)7-8-16/h3-4,9H,2,5-8,10,16H2,1H3
InChIKeyPTOWXQZCDCNCTH-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.41
Rot. Bonds6

About 2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine

2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine (PubChem CID 65496464) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine
PubChem CID65496464
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine
SMILESCCc1cc(OCC2(CCN)CC2)ccc1Cl
InChIInChI=1S/C14H20ClNO/c1-2-11-9-12(3-4-13(11)15)17-10-14(5-6-14)7-8-16/h3-4,9H,2,5-8,10,16H2,1H3
InChIKeyPTOWXQZCDCNCTH-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine (CID 65496464) is 2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine is CCc1cc(OCC2(CCN)CC2)ccc1Cl.
What is the InChIKey of 2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine?
The InChIKey is PTOWXQZCDCNCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-11-9-12(3-4-13(11)15)17-10-14(5-6-14)7-8-16/h3-4,9H,2,5-8,10,16H2,1H3.
What are the key properties of 2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine?
2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65496464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).