N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine

C15H18ClN3O — CID 60883707

IUPACN-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(OCCn2ccnc2)c(CNC2CC2)c1
InChIInChI=1S/C15H18ClN3O/c16-13-1-4-15(12(9-13)10-18-14-2-3-14)20-8-7-19-6-5-17-11-19/h1,4-6,9,11,14,18H,2-3,7-8,10H2
InChIKeyYZLIPBATQMYMAD-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.87
Rot. Bonds7

About N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 60883707) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID60883707
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(OCCn2ccnc2)c(CNC2CC2)c1
InChIInChI=1S/C15H18ClN3O/c16-13-1-4-15(12(9-13)10-18-14-2-3-14)20-8-7-19-6-5-17-11-19/h1,4-6,9,11,14,18H,2-3,7-8,10H2
InChIKeyYZLIPBATQMYMAD-UHFFFAOYSA-N
XLogP2.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883681
N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319341
N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883333
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
(3S,4R)-1-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 56883721
N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 63327094
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155455
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
CID 102535926
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155459

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine (CID 60883707) is N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine is Clc1ccc(OCCn2ccnc2)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is YZLIPBATQMYMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-1-4-15(12(9-13)10-18-14-2-3-14)20-8-7-19-6-5-17-11-19/h1,4-6,9,11,14,18H,2-3,7-8,10H2.
What are the key properties of N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 291.78 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60883707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).