(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine

C14H18ClN3 — CID 81379316

IUPAC(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
SMILESCc1nccn1CCN[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-11(13-5-3-4-6-14(13)15)16-7-9-18-10-8-17-12(18)2/h3-6,8,10-11,16H,7,9H2,1-2H3/t11-/m1/s1
InChIKeyZUXDOQKPIYWWPN-LLVKDONJSA-N
MW263.77 g/mol
LogP3.20
Rot. Bonds5

About (1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine

(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine (PubChem CID 81379316) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
PubChem CID81379316
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
SMILESCc1nccn1CCN[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-11(13-5-3-4-6-14(13)15)16-7-9-18-10-8-17-12(18)2/h3-6,8,10-11,16H,7,9H2,1-2H3/t11-/m1/s1
InChIKeyZUXDOQKPIYWWPN-LLVKDONJSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine (CID 81379316) is (1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine is Cc1nccn1CCN[C@H](C)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
The InChIKey is ZUXDOQKPIYWWPN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-11(13-5-3-4-6-14(13)15)16-7-9-18-10-8-17-12(18)2/h3-6,8,10-11,16H,7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 81379316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).