N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine

C15H19N3 — CID 63974152

IUPACN-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
SMILESCCn1ccnc1-c1ccc(CNC2CC2)cc1
InChIInChI=1S/C15H19N3/c1-2-18-10-9-16-15(18)13-5-3-12(4-6-13)11-17-14-7-8-14/h3-6,9-10,14,17H,2,7-8,11H2,1H3
InChIKeyOLBDGDKYRYMPRH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.82
Rot. Bonds5

About N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine

N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine (PubChem CID 63974152) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
PubChem CID63974152
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
SMILESCCn1ccnc1-c1ccc(CNC2CC2)cc1
InChIInChI=1S/C15H19N3/c1-2-18-10-9-16-15(18)13-5-3-12(4-6-13)11-17-14-7-8-14/h3-6,9-10,14,17H,2,7-8,11H2,1H3
InChIKeyOLBDGDKYRYMPRH-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975192
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975608
N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975818
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
CID 79739257
N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 62737898
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806091
1-ethyl-2-(4-propan-2-yloxyphenyl)imidazole
CID 110540542
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine (CID 63974152) is N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine is CCn1ccnc1-c1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is OLBDGDKYRYMPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-18-10-9-16-15(18)13-5-3-12(4-6-13)11-17-14-7-8-14/h3-6,9-10,14,17H,2,7-8,11H2,1H3.
What are the key properties of N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 241.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63974152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).