2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine

C13H17N3O — CID 102940394

IUPAC2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
SMILESNCCc1nccn1COCc1ccccc1
InChIInChI=1S/C13H17N3O/c14-7-6-13-15-8-9-16(13)11-17-10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11,14H2
InChIKeyDDNKUEQDLHHKRN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.56
Rot. Bonds6

About 2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine

2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine (PubChem CID 102940394) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
PubChem CID102940394
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
SMILESNCCc1nccn1COCc1ccccc1
InChIInChI=1S/C13H17N3O/c14-7-6-13-15-8-9-16(13)11-17-10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11,14H2
InChIKeyDDNKUEQDLHHKRN-UHFFFAOYSA-N
XLogP1.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine
CID 82558268
2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine
CID 102940691
3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 57082680
2-butyl-1-(2-phenylmethoxyethyl)imidazole
CID 174504062
1-(phenylmethoxymethyl)pyrazin-2-one
CID 130538606
2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine
CID 80694657
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
1-(3-phenylmethoxypropyl)imidazol-2-amine
CID 165466096
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004
2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 62408867
benzyl 3-[1-(2-ethoxy-2-oxoethyl)imidazol-2-yl]propanoate
CID 134434153
[(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid
CID 68588264

Frequently Asked Questions

What is the IUPAC name of 2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine (CID 102940394) is 2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine is NCCc1nccn1COCc1ccccc1.
What is the InChIKey of 2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine?
The InChIKey is DDNKUEQDLHHKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-7-6-13-15-8-9-16(13)11-17-10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11,14H2.
What are the key properties of 2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine?
2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine is sourced from PubChem (CID 102940394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).