(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine

C13H17N3O — CID 78932968

IUPAC(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C13H17N3O/c1-10(14)11-3-5-12(6-4-11)17-9-13-15-7-8-16(13)2/h3-8,10H,9,14H2,1-2H3/t10-/m0/s1
InChIKeySYMNWKGDPVRXOP-JTQLQIEISA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds4

About (1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine

(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine (PubChem CID 78932968) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
PubChem CID78932968
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C13H17N3O/c1-10(14)11-3-5-12(6-4-11)17-9-13-15-7-8-16(13)2/h3-8,10H,9,14H2,1-2H3/t10-/m0/s1
InChIKeySYMNWKGDPVRXOP-JTQLQIEISA-N
XLogP2.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013804
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride
CID 120503212
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 75427713
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetonitrile
CID 43144039
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 820947

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine (CID 78932968) is (1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine is C[C@H](N)c1ccc(OCc2nccn2C)cc1.
What is the InChIKey of (1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is SYMNWKGDPVRXOP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(14)11-3-5-12(6-4-11)17-9-13-15-7-8-16(13)2/h3-8,10H,9,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78932968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).