N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

C17H23N3O — CID 63327094

IUPACN-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCCn2ccnc2C)c(CNC2CC2)c1
InChIInChI=1S/C17H23N3O/c1-13-3-6-17(15(11-13)12-19-16-4-5-16)21-10-9-20-8-7-18-14(20)2/h3,6-8,11,16,19H,4-5,9-10,12H2,1-2H3
InChIKeyYGRMZZQDROSBOO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.83
Rot. Bonds7

About N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 63327094) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID63327094
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCCn2ccnc2C)c(CNC2CC2)c1
InChIInChI=1S/C17H23N3O/c1-13-3-6-17(15(11-13)12-19-16-4-5-16)21-10-9-20-8-7-18-14(20)2/h3,6-8,11,16,19H,4-5,9-10,12H2,1-2H3
InChIKeyYGRMZZQDROSBOO-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493253
1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61493141
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde
CID 63324827
N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493032
N-[[5-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 61493104
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine
CID 171620477
N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
CID 77011503

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (CID 63327094) is N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is Cc1ccc(OCCn2ccnc2C)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is YGRMZZQDROSBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-3-6-17(15(11-13)12-19-16-4-5-16)21-10-9-20-8-7-18-14(20)2/h3,6-8,11,16,19H,4-5,9-10,12H2,1-2H3.
What are the key properties of N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63327094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).