N-[2-(4-chlorophenoxy)butyl]cyclopropanamine

C13H18ClNO — CID 62454944

IUPACN-[2-(4-chlorophenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-2-12(9-15-11-5-6-11)16-13-7-3-10(14)4-8-13/h3-4,7-8,11-12,15H,2,5-6,9H2,1H3
InChIKeyRWMQSYIZKCXHOW-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.25
Rot. Bonds6

About N-[2-(4-chlorophenoxy)butyl]cyclopropanamine

N-[2-(4-chlorophenoxy)butyl]cyclopropanamine (PubChem CID 62454944) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)butyl]cyclopropanamine
PubChem CID62454944
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[2-(4-chlorophenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-2-12(9-15-11-5-6-11)16-13-7-3-10(14)4-8-13/h3-4,7-8,11-12,15H,2,5-6,9H2,1H3
InChIKeyRWMQSYIZKCXHOW-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454910
N-(2-phenoxybutyl)cyclopentanamine
CID 54798929
N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine
CID 62451103
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
1-chloro-4-(1-chlorobutan-2-yloxy)benzene
CID 70462784
3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline
CID 62485952
N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
CID 114676931
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188
N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
CID 83044546
N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
CID 103228649

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chlorophenoxy)butyl]cyclopropanamine (CID 62454944) is N-[2-(4-chlorophenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chlorophenoxy)butyl]cyclopropanamine is CCC(CNC1CC1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)butyl]cyclopropanamine?
The InChIKey is RWMQSYIZKCXHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-12(9-15-11-5-6-11)16-13-7-3-10(14)4-8-13/h3-4,7-8,11-12,15H,2,5-6,9H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)butyl]cyclopropanamine?
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine has a molecular weight of 239.75 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62454944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).