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

C16H21N3O — CID 60868569

IUPACN-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
SMILESCCOc1ccccc1-c1cnc(CCNC2CC2)[nH]1
InChIInChI=1S/C16H21N3O/c1-2-20-15-6-4-3-5-13(15)14-11-18-16(19-14)9-10-17-12-7-8-12/h3-6,11-12,17H,2,7-10H2,1H3,(H,18,19)
InChIKeySWKFSYHMYXRDIB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.77
Rot. Bonds7

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

N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine (PubChem CID 60868569) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
PubChem CID60868569
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
SMILESCCOc1ccccc1-c1cnc(CCNC2CC2)[nH]1
InChIInChI=1S/C16H21N3O/c1-2-20-15-6-4-3-5-13(15)14-11-18-16(19-14)9-10-17-12-7-8-12/h3-6,11-12,17H,2,7-10H2,1H3,(H,18,19)
InChIKeySWKFSYHMYXRDIB-UHFFFAOYSA-N
XLogP2.77
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine
CID 60867864
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60866079
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500
N-[2-[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182202
N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60865893
N-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 115533103
N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867861
N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60850115
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60842087

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine (CID 60868569) is N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine is CCOc1ccccc1-c1cnc(CCNC2CC2)[nH]1.
What is the InChIKey of N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is SWKFSYHMYXRDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-20-15-6-4-3-5-13(15)14-11-18-16(19-14)9-10-17-12-7-8-12/h3-6,11-12,17H,2,7-10H2,1H3,(H,18,19).
What are the key properties of N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 60868569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).