N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine

C13H17Cl2NO — CID 62451053

IUPACN-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
SMILESClc1cccc(OCCCCNC2CC2)c1Cl
InChIInChI=1S/C13H17Cl2NO/c14-11-4-3-5-12(13(11)15)17-9-2-1-8-16-10-6-7-10/h3-5,10,16H,1-2,6-9H2
InChIKeyLLDZBHVOYWMVKF-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.90
Rot. Bonds7

About N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine

N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine (PubChem CID 62451053) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
PubChem CID62451053
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
SMILESClc1cccc(OCCCCNC2CC2)c1Cl
InChIInChI=1S/C13H17Cl2NO/c14-11-4-3-5-12(13(11)15)17-9-2-1-8-16-10-6-7-10/h3-5,10,16H,1-2,6-9H2
InChIKeyLLDZBHVOYWMVKF-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.90
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-[4-(3-chloro-2-fluorophenoxy)butyl]cyclopropanamine
CID 116690398
N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
CID 2248800
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390
N-[4-(4-bromo-2-chlorophenoxy)butyl]cyclopropanamine
CID 62485655
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine
CID 62451843
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62451969
3-(2,3-dichlorophenoxy)propane-1-thiol
CID 79019605
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine (CID 62451053) is N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine is Clc1cccc(OCCCCNC2CC2)c1Cl.
What is the InChIKey of N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine?
The InChIKey is LLDZBHVOYWMVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-4-3-5-12(13(11)15)17-9-2-1-8-16-10-6-7-10/h3-5,10,16H,1-2,6-9H2.
What are the key properties of N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine?
N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine has a molecular weight of 274.19 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62451053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).