N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine

C16H21N3O2 — CID 60866079

IUPACN-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
SMILESCOc1ccc(-c2cnc(CCNC3CC3)[nH]2)c(OC)c1
InChIInChI=1S/C16H21N3O2/c1-20-12-5-6-13(15(9-12)21-2)14-10-18-16(19-14)7-8-17-11-3-4-11/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyJCHNESKFAZCRSP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds7

About N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine

N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine (PubChem CID 60866079) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
PubChem CID60866079
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
SMILESCOc1ccc(-c2cnc(CCNC3CC3)[nH]2)c(OC)c1
InChIInChI=1S/C16H21N3O2/c1-20-12-5-6-13(15(9-12)21-2)14-10-18-16(19-14)7-8-17-11-3-4-11/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyJCHNESKFAZCRSP-UHFFFAOYSA-N
XLogP2.39
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95467419
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500
N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60868569
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60865893
N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271892
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
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
N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60850115

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine (CID 60866079) is N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine is COc1ccc(-c2cnc(CCNC3CC3)[nH]2)c(OC)c1.
What is the InChIKey of N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is JCHNESKFAZCRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-12-5-6-13(15(9-12)21-2)14-10-18-16(19-14)7-8-17-11-3-4-11/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 287.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 60866079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).