(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine

C13H17N3O — CID 66139527

IUPAC(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2cncn2C)c1
InChIInChI=1S/C13H17N3O/c1-10(14)11-4-3-5-13(6-11)17-8-12-7-15-9-16(12)2/h3-7,9-10H,8,14H2,1-2H3/t10-/m0/s1
InChIKeyDQULSFZQWCLRGN-JTQLQIEISA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds4

About (1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine

(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 66139527) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID66139527
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2cncn2C)c1
InChIInChI=1S/C13H17N3O/c1-10(14)11-4-3-5-13(6-11)17-8-12-7-15-9-16(12)2/h3-7,9-10H,8,14H2,1-2H3/t10-/m0/s1
InChIKeyDQULSFZQWCLRGN-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

(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66152982
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319
1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 60870530
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154264
1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60880709
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66153632
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine (CID 66139527) is (1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine is C[C@H](N)c1cccc(OCc2cncn2C)c1.
What is the InChIKey of (1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is DQULSFZQWCLRGN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(14)11-4-3-5-13(6-11)17-8-12-7-15-9-16(12)2/h3-7,9-10H,8,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine?
(1S)-1-[3-[(3-methylimidazol-4-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-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 66139527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).