N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine

C13H15ClFN3 — CID 43401980

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
SMILESCn1c(Cl)cnc1CNCCc1cccc(F)c1
InChIInChI=1S/C13H15ClFN3/c1-18-12(14)8-17-13(18)9-16-6-5-10-3-2-4-11(15)7-10/h2-4,7-8,16H,5-6,9H2,1H3
InChIKeyYWRTVPKXYIXMLS-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.54
Rot. Bonds5

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine (PubChem CID 43401980) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
PubChem CID43401980
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
SMILESCn1c(Cl)cnc1CNCCc1cccc(F)c1
InChIInChI=1S/C13H15ClFN3/c1-18-12(14)8-17-13(18)9-16-6-5-10-3-2-4-11(15)7-10/h2-4,7-8,16H,5-6,9H2,1H3
InChIKeyYWRTVPKXYIXMLS-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62615069
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 60687993
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 60694693
1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine
CID 62537628
N-[(5-chloro-1-methylimidazol-2-yl)methyl]butan-1-amine
CID 43088016
2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267953
N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329024
N-[[3-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66347081
2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60697544
2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 54961050
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959
N,N-diethyl-5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 43777642

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine (CID 43401980) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine is Cn1c(Cl)cnc1CNCCc1cccc(F)c1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine?
The InChIKey is YWRTVPKXYIXMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-18-12(14)8-17-13(18)9-16-6-5-10-3-2-4-11(15)7-10/h2-4,7-8,16H,5-6,9H2,1H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine has a molecular weight of 267.74 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 43401980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).