4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine

C16H23N3O — CID 62737524

IUPAC4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCn1ccnc1COc1ccc(CCC(C)N)cc1
InChIInChI=1S/C16H23N3O/c1-3-19-11-10-18-16(19)12-20-15-8-6-14(7-9-15)5-4-13(2)17/h6-11,13H,3-5,12,17H2,1-2H3
InChIKeyDJKNDJDVSSLWHM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds7

About 4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine

4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 62737524) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID62737524
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCn1ccnc1COc1ccc(CCC(C)N)cc1
InChIInChI=1S/C16H23N3O/c1-3-19-11-10-18-16(19)12-20-15-8-6-14(7-9-15)5-4-13(2)17/h6-11,13H,3-5,12,17H2,1-2H3
InChIKeyDJKNDJDVSSLWHM-UHFFFAOYSA-N
XLogP2.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494639
4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 78990443
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 78932314
4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
CID 64772318
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
CID 79751475
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 60878632
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine (CID 62737524) is 4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine is CCn1ccnc1COc1ccc(CCC(C)N)cc1.
What is the InChIKey of 4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is DJKNDJDVSSLWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19-11-10-18-16(19)12-20-15-8-6-14(7-9-15)5-4-13(2)17/h6-11,13H,3-5,12,17H2,1-2H3.
What are the key properties of 4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine?
4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 62737524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).