N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine

C15H18ClN3O — CID 114319341

IUPACN-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1cccc(OCCn2ccnc2)c1CNC1CC1
InChIInChI=1S/C15H18ClN3O/c16-14-2-1-3-15(13(14)10-18-12-4-5-12)20-9-8-19-7-6-17-11-19/h1-3,6-7,11-12,18H,4-5,8-10H2
InChIKeyALGJDVFXXIINNB-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.87
Rot. Bonds7

About N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 114319341) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID114319341
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1cccc(OCCn2ccnc2)c1CNC1CC1
InChIInChI=1S/C15H18ClN3O/c16-14-2-1-3-15(13(14)10-18-12-4-5-12)20-9-8-19-7-6-17-11-19/h1-3,6-7,11-12,18H,4-5,8-10H2
InChIKeyALGJDVFXXIINNB-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

[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol
CID 114320427
N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883707
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319356
N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319361
N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883681
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine (CID 114319341) is N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine is Clc1cccc(OCCn2ccnc2)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is ALGJDVFXXIINNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-14-2-1-3-15(13(14)10-18-12-4-5-12)20-9-8-19-7-6-17-11-19/h1-3,6-7,11-12,18H,4-5,8-10H2.
What are the key properties of N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(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-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114319341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).