(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine

C14H19N3O — CID 66152982

IUPAC(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCn1cncc1COc1cccc([C@H](C)N)c1
InChIInChI=1S/C14H19N3O/c1-3-17-10-16-8-13(17)9-18-14-6-4-5-12(7-14)11(2)15/h4-8,10-11H,3,9,15H2,1-2H3/t11-/m0/s1
InChIKeyPULOBSATTCETLR-NSHDSACASA-N
MW245.33 g/mol
LogP2.50
Rot. Bonds5

About (1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine

(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 66152982) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID66152982
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCn1cncc1COc1cccc([C@H](C)N)c1
InChIInChI=1S/C14H19N3O/c1-3-17-10-16-8-13(17)9-18-14-6-4-5-12(7-14)11(2)15/h4-8,10-11H,3,9,15H2,1-2H3/t11-/m0/s1
InChIKeyPULOBSATTCETLR-NSHDSACASA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 66133621
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376063
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319
5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
CID 66153948
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78937299
1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 60870530
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154264
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66153632
(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 55190446

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine (CID 66152982) is (1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine is CCn1cncc1COc1cccc([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is PULOBSATTCETLR-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17-10-16-8-13(17)9-18-14-6-4-5-12(7-14)11(2)15/h4-8,10-11H,3,9,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine?
(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 66152982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).