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

C16H20ClN3 — CID 114854661

IUPACN-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCCc1nccn1-c1cc(Cl)ccc1CNC1CC1
InChIInChI=1S/C16H20ClN3/c1-2-3-16-18-8-9-20(16)15-10-13(17)5-4-12(15)11-19-14-6-7-14/h4-5,8-10,14,19H,2-3,6-7,11H2,1H3
InChIKeyOXDUKMBORUYSND-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.73
Rot. Bonds6

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

N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114854661) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID114854661
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCCc1nccn1-c1cc(Cl)ccc1CNC1CC1
InChIInChI=1S/C16H20ClN3/c1-2-3-16-18-8-9-20(16)15-10-13(17)5-4-12(15)11-19-14-6-7-14/h4-5,8-10,14,19H,2-3,6-7,11H2,1H3
InChIKeyOXDUKMBORUYSND-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine (CID 114854661) is N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine is CCCc1nccn1-c1cc(Cl)ccc1CNC1CC1.
What is the InChIKey of N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is OXDUKMBORUYSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-2-3-16-18-8-9-20(16)15-10-13(17)5-4-12(15)11-19-14-6-7-14/h4-5,8-10,14,19H,2-3,6-7,11H2,1H3.
What are the key properties of N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 289.81 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114854661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).