N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine

C10H19N3O — CID 107506034

IUPACN-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine
SMILESCCNC(COC)Cn1ccnc1C
InChIInChI=1S/C10H19N3O/c1-4-11-10(8-14-3)7-13-6-5-12-9(13)2/h5-6,10-11H,4,7-8H2,1-3H3
InChIKeyPRFUJIWNKWWNCI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.82
Rot. Bonds6

About N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine

N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine (PubChem CID 107506034) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine
PubChem CID107506034
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine
SMILESCCNC(COC)Cn1ccnc1C
InChIInChI=1S/C10H19N3O/c1-4-11-10(8-14-3)7-13-6-5-12-9(13)2/h5-6,10-11H,4,7-8H2,1-3H3
InChIKeyPRFUJIWNKWWNCI-UHFFFAOYSA-N
XLogP0.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 107506086
3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol
CID 64900571
1-(2-methylimidazol-1-yl)-N-propylpentan-2-amine
CID 62042314
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 114528660
1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 43165910
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
1-(2-fluorobutyl)-2-methylimidazole
CID 127000116
N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
CID 107506620
2-chloro-3-methoxy-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 65023643
N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032819
2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
CID 106186173

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine (CID 107506034) is N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine is CCNC(COC)Cn1ccnc1C.
What is the InChIKey of N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine?
The InChIKey is PRFUJIWNKWWNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-11-10(8-14-3)7-13-6-5-12-9(13)2/h5-6,10-11H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine is sourced from PubChem (CID 107506034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).