N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

C16H21N3O — CID 61493252

IUPACN-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCc1nccn1CCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C16H21N3O/c1-13-17-7-8-19(13)9-10-20-16-4-2-3-14(11-16)12-18-15-5-6-15/h2-4,7-8,11,15,18H,5-6,9-10,12H2,1H3
InChIKeyWYVNTLMRITYOAU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.52
Rot. Bonds7

About N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 61493252) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID61493252
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCc1nccn1CCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C16H21N3O/c1-13-17-7-8-19(13)9-10-20-16-4-2-3-14(11-16)12-18-15-5-6-15/h2-4,7-8,11,15,18H,5-6,9-10,12H2,1H3
InChIKeyWYVNTLMRITYOAU-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62446843
N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62440828
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 61493250
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
N-[[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62446801
N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493253
N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 63327094
N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114413214
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[[3-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975192
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 42818895

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (CID 61493252) is N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is Cc1nccn1CCOc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is WYVNTLMRITYOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-17-7-8-19(13)9-10-20-16-4-2-3-14(11-16)12-18-15-5-6-15/h2-4,7-8,11,15,18H,5-6,9-10,12H2,1H3.
What are the key properties of N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61493252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).