2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine

C14H19N3O — CID 114703081

IUPAC2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCOc1ccccc1Cn1cncc1C(C)(C)N
InChIInChI=1S/C14H19N3O/c1-14(2,15)13-8-16-10-17(13)9-11-6-4-5-7-12(11)18-3/h4-8,10H,9,15H2,1-3H3
InChIKeyYKBFXWTVLCMCNG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine

2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine (PubChem CID 114703081) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
PubChem CID114703081
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCOc1ccccc1Cn1cncc1C(C)(C)N
InChIInChI=1S/C14H19N3O/c1-14(2,15)13-8-16-10-17(13)9-11-6-4-5-7-12(11)18-3/h4-8,10H,9,15H2,1-3H3
InChIKeyYKBFXWTVLCMCNG-UHFFFAOYSA-N
XLogP2.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923
3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114716675
N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 106261698
1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 106261741
3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
CID 63383373
[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716681
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
3-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylic acid
CID 82769947
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide
CID 81342661
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine (CID 114703081) is 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine is COc1ccccc1Cn1cncc1C(C)(C)N.
What is the InChIKey of 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The InChIKey is YKBFXWTVLCMCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,15)13-8-16-10-17(13)9-11-6-4-5-7-12(11)18-3/h4-8,10H,9,15H2,1-3H3.
What are the key properties of 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114703081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).