(1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine

C14H19N3O — CID 114009439

IUPAC(1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
SMILESCOc1cccc(CCn2cncc2[C@H](C)N)c1
InChIInChI=1S/C14H19N3O/c1-11(15)14-9-16-10-17(14)7-6-12-4-3-5-13(8-12)18-2/h3-5,8-11H,6-7,15H2,1-2H3/t11-/m0/s1
InChIKeyCGFIXVDFJBKFPY-NSHDSACASA-N
MW245.33 g/mol
LogP2.15
Rot. Bonds5

About (1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine

(1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 114009439) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
PubChem CID114009439
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
SMILESCOc1cccc(CCn2cncc2[C@H](C)N)c1
InChIInChI=1S/C14H19N3O/c1-11(15)14-9-16-10-17(14)7-6-12-4-3-5-13(8-12)18-2/h3-5,8-11H,6-7,15H2,1-2H3/t11-/m0/s1
InChIKeyCGFIXVDFJBKFPY-NSHDSACASA-N
XLogP2.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
2-(3-methoxyphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131044
(1R)-1-[3-[(3-nitrophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942893
3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 107854548
(3-ethylimidazol-4-yl)-(3-methoxyphenyl)methanol
CID 66135157
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 106106983
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
1-[2-(3-methoxyphenyl)ethyl]pyrrole
CID 10679575
(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate
CID 66132458

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine (CID 114009439) is (1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine is COc1cccc(CCn2cncc2[C@H](C)N)c1.
What is the InChIKey of (1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is CGFIXVDFJBKFPY-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(15)14-9-16-10-17(14)7-6-12-4-3-5-13(8-12)18-2/h3-5,8-11H,6-7,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
(1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 114009439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).