[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride

C6H11ClFN3 — CID 131637916

IUPAC[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cncn1CCF
InChIInChI=1S/C6H10FN3.ClH/c7-1-2-10-5-9-4-6(10)3-8;/h4-5H,1-3,8H2;1H
InChIKeyZZIRQCFZYHORHO-UHFFFAOYSA-N
MW179.63 g/mol
LogP0.73
Rot. Bonds3

About [3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride

[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride (PubChem CID 131637916) has the molecular formula C6H11ClFN3 and a molecular weight of 179.63 g/mol. Its IUPAC name is [3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
PubChem CID131637916
Molecular FormulaC6H11ClFN3
Molecular Weight179.63 g/mol
Exact Mass179.06
IUPAC Name[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cncn1CCF
InChIInChI=1S/C6H10FN3.ClH/c7-1-2-10-5-9-4-6(10)3-8;/h4-5H,1-3,8H2;1H
InChIKeyZZIRQCFZYHORHO-UHFFFAOYSA-N
XLogP0.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.63
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
1-[2-[3-(2-fluoroethyl)imidazol-4-yl]ethyl]cyclopropan-1-amine
CID 105450776
[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine
CID 114707540
4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66150121
4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol
CID 114704497
[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine
CID 106327223
N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 66150137
5-(chloromethyl)-1-(3-fluoropropyl)imidazole
CID 130504730
(3-prop-2-enylimidazol-4-yl)methanamine
CID 114703830
[3-(cyclobutylmethyl)imidazol-4-yl]methanamine
CID 66148597
[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
CID 121199545
[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]methanamine
CID 66147556

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride (CID 131637916) is [3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride is Cl.NCc1cncn1CCF.
What is the InChIKey of [3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride?
The InChIKey is ZZIRQCFZYHORHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3.ClH/c7-1-2-10-5-9-4-6(10)3-8;/h4-5H,1-3,8H2;1H.
What are the key properties of [3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride?
[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride has a molecular weight of 179.63 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 131637916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).