N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine

C16H23N3O2 — CID 119111306

IUPACN-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
SMILESCOc1cc(C(C)NCc2ncc[nH]2)ccc1OC(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)21-14-6-5-13(9-15(14)20-4)12(3)19-10-16-17-7-8-18-16/h5-9,11-12,19H,10H2,1-4H3,(H,17,18)
InChIKeyUKILSHZKFPJBGT-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.06
Rot. Bonds7

About N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine

N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine (PubChem CID 119111306) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
PubChem CID119111306
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
SMILESCOc1cc(C(C)NCc2ncc[nH]2)ccc1OC(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)21-14-6-5-13(9-15(14)20-4)12(3)19-10-16-17-7-8-18-16/h5-9,11-12,19H,10H2,1-4H3,(H,17,18)
InChIKeyUKILSHZKFPJBGT-UHFFFAOYSA-N
XLogP3.06
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 64546221
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 54976068
4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol
CID 64547217
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
N-(1H-imidazol-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 54976562
1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119110968
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 55109973
N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-3-nitrophenyl)ethanamine
CID 64546047
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80711317
2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
CID 119110866
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine (CID 119111306) is N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine is COc1cc(C(C)NCc2ncc[nH]2)ccc1OC(C)C.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is UKILSHZKFPJBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)21-14-6-5-13(9-15(14)20-4)12(3)19-10-16-17-7-8-18-16/h5-9,11-12,19H,10H2,1-4H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine?
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 119111306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).