N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine

C16H23N3O — CID 63002109

IUPACN-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2cncn2C)cc1
InChIInChI=1S/C16H23N3O/c1-12(2)20-16-7-5-14(6-8-16)13(3)18-10-15-9-17-11-19(15)4/h5-9,11-13,18H,10H2,1-4H3
InChIKeyFSXKIDWKLWPMLX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds6

About N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine

N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 63002109) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID63002109
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2cncn2C)cc1
InChIInChI=1S/C16H23N3O/c1-12(2)20-16-7-5-14(6-8-16)13(3)18-10-15-9-17-11-19(15)4/h5-9,11-13,18H,10H2,1-4H3
InChIKeyFSXKIDWKLWPMLX-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 63000281
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103907028
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 62997731
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
1-(4-propan-2-yloxyphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62761091
1-[4-[(1S)-1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 124692405
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659
N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 82903741

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine (CID 63002109) is N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(C)NCc2cncn2C)cc1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is FSXKIDWKLWPMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)20-16-7-5-14(6-8-16)13(3)18-10-15-9-17-11-19(15)4/h5-9,11-13,18H,10H2,1-4H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 63002109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).