1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine

C16H23N3O — CID 61212248

IUPAC1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C16H23N3O/c1-13(2)20-16-6-4-5-15(9-16)10-18-14(3)11-19-8-7-17-12-19/h4-9,12-14,18H,10-11H2,1-3H3
InChIKeyWIWSZIZNDSGCPJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.85
Rot. Bonds7

About 1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine

1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine (PubChem CID 61212248) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
PubChem CID61212248
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C16H23N3O/c1-13(2)20-16-6-4-5-15(9-16)10-18-14(3)11-19-8-7-17-12-19/h4-9,12-14,18H,10-11H2,1-3H3
InChIKeyWIWSZIZNDSGCPJ-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 43791920
3-[[3-[[[(2R)-1-imidazol-1-ylpropan-2-yl]amino]methyl]phenoxy]methyl]benzonitrile
CID 94152394
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 56703534
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061791

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine (CID 61212248) is 1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine is CC(Cn1ccnc1)NCc1cccc(OC(C)C)c1.
What is the InChIKey of 1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine?
The InChIKey is WIWSZIZNDSGCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)20-16-6-4-5-15(9-16)10-18-14(3)11-19-8-7-17-12-19/h4-9,12-14,18H,10-11H2,1-3H3.
What are the key properties of 1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 61212248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).