(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine

C14H18ClN3O — CID 104934191

IUPAC(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Cl)ccc1OCCc1nccn1C
InChIInChI=1S/C14H18ClN3O/c1-10(16)12-9-11(15)3-4-13(12)19-8-5-14-17-6-7-18(14)2/h3-4,6-7,9-10H,5,8,16H2,1-2H3/t10-/m1/s1
InChIKeyKTNHIZPZOHEERP-SNVBAGLBSA-N
MW279.77 g/mol
LogP2.71
Rot. Bonds5

About (1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine

(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine (PubChem CID 104934191) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
PubChem CID104934191
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Cl)ccc1OCCc1nccn1C
InChIInChI=1S/C14H18ClN3O/c1-10(16)12-9-11(15)3-4-13(12)19-8-5-14-17-6-7-18(14)2/h3-4,6-7,9-10H,5,8,16H2,1-2H3/t10-/m1/s1
InChIKeyKTNHIZPZOHEERP-SNVBAGLBSA-N
XLogP2.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 114530890
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338
(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 55191286
(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
CID 63366602
1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114530902
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041330
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63775282
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
CID 107702669
5-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]pentan-1-ol
CID 55189555
1-[5-chloro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 62074214

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine (CID 104934191) is (1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine is C[C@@H](N)c1cc(Cl)ccc1OCCc1nccn1C.
What is the InChIKey of (1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine?
The InChIKey is KTNHIZPZOHEERP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10(16)12-9-11(15)3-4-13(12)19-8-5-14-17-6-7-18(14)2/h3-4,6-7,9-10H,5,8,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine?
(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 104934191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).