5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine

C15H21N3O — CID 71129691

IUPAC5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCOc1cccc([C@@H]2[C@@H](C3CN=C(N)N3)C2(C)C)c1
InChIInChI=1S/C15H21N3O/c1-15(2)12(9-5-4-6-10(7-9)19-3)13(15)11-8-17-14(16)18-11/h4-7,11-13H,8H2,1-3H3,(H3,16,17,18)/t11?,12-,13-/m1/s1
InChIKeyGJNYOMGFTDQZPZ-VFRRUGBOSA-N
MW259.35 g/mol
LogP1.72
Rot. Bonds3

About 5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine

5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 71129691) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID71129691
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCOc1cccc([C@@H]2[C@@H](C3CN=C(N)N3)C2(C)C)c1
InChIInChI=1S/C15H21N3O/c1-15(2)12(9-5-4-6-10(7-9)19-3)13(15)11-8-17-14(16)18-11/h4-7,11-13H,8H2,1-3H3,(H3,16,17,18)/t11?,12-,13-/m1/s1
InChIKeyGJNYOMGFTDQZPZ-VFRRUGBOSA-N
XLogP1.72
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 90198014

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine (CID 71129691) is 5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine is COc1cccc([C@@H]2[C@@H](C3CN=C(N)N3)C2(C)C)c1.
What is the InChIKey of 5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is GJNYOMGFTDQZPZ-VFRRUGBOSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2)12(9-5-4-6-10(7-9)19-3)13(15)11-8-17-14(16)18-11/h4-7,11-13H,8H2,1-3H3,(H3,16,17,18)/t11?,12-,13-/m1/s1.
What are the key properties of 5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine?
5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 71129691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).