(1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine

C13H17N3O — CID 96599635

IUPAC(1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine
SMILESCOc1ccc(Cc2cnc([C@H](C)N)[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-9(14)13-15-8-11(16-13)7-10-3-5-12(17-2)6-4-10/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyCGHVSTBVGKMRPD-VIFPVBQESA-N
MW231.30 g/mol
LogP2.03
Rot. Bonds4

About (1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine

(1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine (PubChem CID 96599635) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine
PubChem CID96599635
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine
SMILESCOc1ccc(Cc2cnc([C@H](C)N)[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-9(14)13-15-8-11(16-13)7-10-3-5-12(17-2)6-4-10/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyCGHVSTBVGKMRPD-VIFPVBQESA-N
XLogP2.03
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83123591
2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
CID 123143670
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084104
3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine
CID 99963203
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 61375320
2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 62741768
2-[(4-methoxyphenyl)methyl]-4,5-dimethylpyridine
CID 11172203
4,5-bis[(4-methoxyphenyl)methyl]-1H-imidazole
CID 154346449
2-[5-[(4-cyanophenyl)methyl]-1H-imidazol-2-yl]propanoic acid
CID 70341796
2-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-yl]-N-methylethanamine
CID 115086967

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine (CID 96599635) is (1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine is COc1ccc(Cc2cnc([C@H](C)N)[nH]2)cc1.
What is the InChIKey of (1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine?
The InChIKey is CGHVSTBVGKMRPD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(14)13-15-8-11(16-13)7-10-3-5-12(17-2)6-4-10/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine?
(1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 96599635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).