3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine

C22H27N3O — CID 67651862

IUPAC3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NC(CCn1ccnc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H27N3O/c1-18(2)24-22(12-14-25-15-13-23-17-25)20-8-10-21(11-9-20)26-16-19-6-4-3-5-7-19/h3-11,13,15,17-18,22,24H,12,14,16H2,1-2H3
InChIKeyXLFZNMDHLVKZCA-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.59
Rot. Bonds9

About 3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine

3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 67651862) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID67651862
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NC(CCn1ccnc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H27N3O/c1-18(2)24-22(12-14-25-15-13-23-17-25)20-8-10-21(11-9-20)26-16-19-6-4-3-5-7-19/h3-11,13,15,17-18,22,24H,12,14,16H2,1-2H3
InChIKeyXLFZNMDHLVKZCA-UHFFFAOYSA-N
XLogP4.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066972
N-(3-imidazol-1-ylpropyl)-2-(4-phenylmethoxyphenyl)propan-2-amine;dihydrochloride
CID 18349638
N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine
CID 18349622
1-[1-[3,5-bis(phenylmethoxy)phenyl]ethyl]imidazole
CID 172603383
1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine
CID 61494811
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795
1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
CID 14514381
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol
CID 13274589
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine (CID 67651862) is 3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine is CC(C)NC(CCn1ccnc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is XLFZNMDHLVKZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18(2)24-22(12-14-25-15-13-23-17-25)20-8-10-21(11-9-20)26-16-19-6-4-3-5-7-19/h3-11,13,15,17-18,22,24H,12,14,16H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine?
3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 349.48 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 67651862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).