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

C16H24ClNO — CID 83044546

IUPACN-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H24ClNO/c1-3-5-15(11-18-13-6-7-13)19-14-8-9-16(17)12(4-2)10-14/h8-10,13,15,18H,3-7,11H2,1-2H3
InChIKeyBWHZTENLWAGSPG-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.20
Rot. Bonds8

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

N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine (PubChem CID 83044546) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
PubChem CID83044546
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H24ClNO/c1-3-5-15(11-18-13-6-7-13)19-14-8-9-16(17)12(4-2)10-14/h8-10,13,15,18H,3-7,11H2,1-2H3
InChIKeyBWHZTENLWAGSPG-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine
CID 83044892
N-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
CID 83044258
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
N-[2-[(6-methyl-3-pyridinyl)oxy]pentyl]cyclopropanamine
CID 83044254
N-[2-(5-chloro-2-methylphenoxy)pentyl]cyclopropanamine
CID 83045481
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
CID 62485185
N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine
CID 83044881

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine (CID 83044546) is N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine is CCCC(CNC1CC1)Oc1ccc(Cl)c(CC)c1.
What is the InChIKey of N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine?
The InChIKey is BWHZTENLWAGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-5-15(11-18-13-6-7-13)19-14-8-9-16(17)12(4-2)10-14/h8-10,13,15,18H,3-7,11H2,1-2H3.
What are the key properties of N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine?
N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine has a molecular weight of 281.83 g/mol, XLogP of 4.20, 8 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)pentyl]cyclopropanamine is sourced from PubChem (CID 83044546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).