N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine

C16H21N3O — CID 60867500

IUPACN-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
SMILESCOc1ccc(C)cc1-c1cnc(CCNC2CC2)[nH]1
InChIInChI=1S/C16H21N3O/c1-11-3-6-15(20-2)13(9-11)14-10-18-16(19-14)7-8-17-12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3,(H,18,19)
InChIKeyGUMQCSHFJRZOQM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.69
Rot. Bonds6

About N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine

N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine (PubChem CID 60867500) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
PubChem CID60867500
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
SMILESCOc1ccc(C)cc1-c1cnc(CCNC2CC2)[nH]1
InChIInChI=1S/C16H21N3O/c1-11-3-6-15(20-2)13(9-11)14-10-18-16(19-14)7-8-17-12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3,(H,18,19)
InChIKeyGUMQCSHFJRZOQM-UHFFFAOYSA-N
XLogP2.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60866079
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879145
N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60868569
N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60865893
2-bromo-5-(2-methoxy-5-methylphenyl)-1H-imidazole
CID 116884225
N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867861
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95467419
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine
CID 116877941

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine (CID 60867500) is N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine is COc1ccc(C)cc1-c1cnc(CCNC2CC2)[nH]1.
What is the InChIKey of N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is GUMQCSHFJRZOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-3-6-15(20-2)13(9-11)14-10-18-16(19-14)7-8-17-12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 60867500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).