N-[4-(4-chlorophenoxy)butyl]cyclopropanamine

C13H18ClNO — CID 62454256

IUPACN-[4-(4-chlorophenoxy)butyl]cyclopropanamine
SMILESClc1ccc(OCCCCNC2CC2)cc1
InChIInChI=1S/C13H18ClNO/c14-11-3-7-13(8-4-11)16-10-2-1-9-15-12-5-6-12/h3-4,7-8,12,15H,1-2,5-6,9-10H2
InChIKeyBOYFXKZGSAVCFH-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.25
Rot. Bonds7

About N-[4-(4-chlorophenoxy)butyl]cyclopropanamine

N-[4-(4-chlorophenoxy)butyl]cyclopropanamine (PubChem CID 62454256) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)butyl]cyclopropanamine
PubChem CID62454256
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[4-(4-chlorophenoxy)butyl]cyclopropanamine
SMILESClc1ccc(OCCCCNC2CC2)cc1
InChIInChI=1S/C13H18ClNO/c14-11-3-7-13(8-4-11)16-10-2-1-9-15-12-5-6-12/h3-4,7-8,12,15H,1-2,5-6,9-10H2
InChIKeyBOYFXKZGSAVCFH-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.25
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-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409199
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
CID 65201532
N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine
CID 63515887
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine
CID 67622919
N-[6-(4-bromo-3-methylphenoxy)hexyl]cyclopropanamine
CID 83134751
N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
CID 62451053

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[4-(4-chlorophenoxy)butyl]cyclopropanamine (CID 62454256) is N-[4-(4-chlorophenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-chlorophenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-chlorophenoxy)butyl]cyclopropanamine is Clc1ccc(OCCCCNC2CC2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)butyl]cyclopropanamine?
The InChIKey is BOYFXKZGSAVCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-11-3-7-13(8-4-11)16-10-2-1-9-15-12-5-6-12/h3-4,7-8,12,15H,1-2,5-6,9-10H2.
What are the key properties of N-[4-(4-chlorophenoxy)butyl]cyclopropanamine?
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine has a molecular weight of 239.75 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62454256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).