(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine

C14H18ClN3O — CID 78932860

IUPAC(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1ncc(Cl)n1C
InChIInChI=1S/C14H18ClN3O/c1-3-11(16)10-6-4-5-7-12(10)19-9-14-17-8-13(15)18(14)2/h4-8,11H,3,9,16H2,1-2H3/t11-/m0/s1
InChIKeyRQWATFDAKPTDIZ-NSHDSACASA-N
MW279.77 g/mol
LogP3.06
Rot. Bonds5

About (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine

(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine (PubChem CID 78932860) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
PubChem CID78932860
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1ncc(Cl)n1C
InChIInChI=1S/C14H18ClN3O/c1-3-11(16)10-6-4-5-7-12(10)19-9-14-17-8-13(15)18(14)2/h4-8,11H,3,9,16H2,1-2H3/t11-/m0/s1
InChIKeyRQWATFDAKPTDIZ-NSHDSACASA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine
CID 60887486
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
(1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 79013808
2-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]pyridine
CID 64983187
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78936109
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol
CID 43144116
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63063923

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine (CID 78932860) is (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCc1ncc(Cl)n1C.
What is the InChIKey of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is RQWATFDAKPTDIZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-11(16)10-6-4-5-7-12(10)19-9-14-17-8-13(15)18(14)2/h4-8,11H,3,9,16H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine?
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 279.77 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 78932860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).