(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine

C15H21N3O — CID 81376063

IUPAC(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCCn1cncc1CN[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H21N3O/c1-4-18-11-16-9-14(18)10-17-12(2)13-6-5-7-15(8-13)19-3/h5-9,11-12,17H,4,10H2,1-3H3/t12-/m1/s1
InChIKeyCEAZTUOYANWMIK-GFCCVEGCSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds6

About (1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine

(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 81376063) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID81376063
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCCn1cncc1CN[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H21N3O/c1-4-18-11-16-9-14(18)10-17-12(2)13-6-5-7-15(8-13)19-3/h5-9,11-12,17H,4,10H2,1-3H3/t12-/m1/s1
InChIKeyCEAZTUOYANWMIK-GFCCVEGCSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 66133621
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 66133152
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103729437
(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81365622
(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190
(1R)-1-(3-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 25264906
(3-ethylimidazol-4-yl)-(3-methoxyphenyl)methanol
CID 66135157
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66152982
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 81376063) is (1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine is CCn1cncc1CN[C@H](C)c1cccc(OC)c1.
What is the InChIKey of (1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is CEAZTUOYANWMIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-11-16-9-14(18)10-17-12(2)13-6-5-7-15(8-13)19-3/h5-9,11-12,17H,4,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81376063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).