1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine

C16H23N3O — CID 66153014

IUPAC1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCCn1cncc1COc1ccc(C(N)CC)cc1
InChIInChI=1S/C16H23N3O/c1-3-9-19-12-18-10-14(19)11-20-15-7-5-13(6-8-15)16(17)4-2/h5-8,10,12,16H,3-4,9,11,17H2,1-2H3
InChIKeyIURKYBSACVLKGV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.28
Rot. Bonds7

About 1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine

1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine (PubChem CID 66153014) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine
PubChem CID66153014
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCCn1cncc1COc1ccc(C(N)CC)cc1
InChIInChI=1S/C16H23N3O/c1-3-9-19-12-18-10-14(19)11-20-15-7-5-13(6-8-15)16(17)4-2/h5-8,10,12,16H,3-4,9,11,17H2,1-2H3
InChIKeyIURKYBSACVLKGV-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66154174
1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105673
(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66153632
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072
(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 63367781
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
3-[(3-propylimidazol-4-yl)methoxy]propan-1-amine
CID 106938080
(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66152982
N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66153745
1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]propan-1-amine
CID 104796044
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
[6-methyl-3-[(3-propylimidazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79163082

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine (CID 66153014) is 1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine is CCCn1cncc1COc1ccc(C(N)CC)cc1.
What is the InChIKey of 1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is IURKYBSACVLKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-9-19-12-18-10-14(19)11-20-15-7-5-13(6-8-15)16(17)4-2/h5-8,10,12,16H,3-4,9,11,17H2,1-2H3.
What are the key properties of 1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine?
1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 66153014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).