(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine

C16H23N3 — CID 104941515

IUPAC(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
SMILESCC(C)C(C)n1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H23N3/c1-12(2)13(3)19-11-18-10-16(19)15(17)9-14-7-5-4-6-8-14/h4-8,10-13,15H,9,17H2,1-3H3/t13?,15-/m1/s1
InChIKeyIHJVZMFLYBIKES-AWKYBWMHSA-N
MW257.38 g/mol
LogP3.34
Rot. Bonds5

About (1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine

(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine (PubChem CID 104941515) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
PubChem CID104941515
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
SMILESCC(C)C(C)n1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H23N3/c1-12(2)13(3)19-11-18-10-16(19)15(17)9-14-7-5-4-6-8-14/h4-8,10-13,15H,9,17H2,1-3H3/t13?,15-/m1/s1
InChIKeyIHJVZMFLYBIKES-AWKYBWMHSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942446
(1R)-1-[3-(4-methylsulfanylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943877
(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943198
(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942509
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
(1R)-1-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]-2-phenylethanamine
CID 104943111
(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
CID 104941977
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
CID 104943240
(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941817
(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine
CID 104941453
1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 104942784

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The IUPAC name of (1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine (CID 104941515) is (1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine is CC(C)C(C)n1cncc1[C@H](N)Cc1ccccc1.
What is the InChIKey of (1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The InChIKey is IHJVZMFLYBIKES-AWKYBWMHSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)13(3)19-11-18-10-16(19)15(17)9-14-7-5-4-6-8-14/h4-8,10-13,15H,9,17H2,1-3H3/t13?,15-/m1/s1.
What are the key properties of (1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine?
(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine is sourced from PubChem (CID 104941515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).