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

C17H25N3 — CID 104942446

IUPAC(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
SMILESCCC(C)C(C)n1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C17H25N3/c1-4-13(2)14(3)20-12-19-11-17(20)16(18)10-15-8-6-5-7-9-15/h5-9,11-14,16H,4,10,18H2,1-3H3/t13?,14?,16-/m1/s1
InChIKeyPDYBFTCFOOPYLF-ZBCRRDGASA-N
MW271.41 g/mol
LogP3.73
Rot. Bonds6

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

(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine (PubChem CID 104942446) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
PubChem CID104942446
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
SMILESCCC(C)C(C)n1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C17H25N3/c1-4-13(2)14(3)20-12-19-11-17(20)16(18)10-15-8-6-5-7-9-15/h5-9,11-14,16H,4,10,18H2,1-3H3/t13?,14?,16-/m1/s1
InChIKeyPDYBFTCFOOPYLF-ZBCRRDGASA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515
(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942509
(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943198
(1R)-1-[3-(4-methylsulfanylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943877
(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine
CID 104941453
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
CID 104943240
(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
CID 104941977
(1R)-1-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]-2-phenylethanamine
CID 104943111
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941817
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-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The IUPAC name of (1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine (CID 104942446) is (1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine is CCC(C)C(C)n1cncc1[C@H](N)Cc1ccccc1.
What is the InChIKey of (1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The InChIKey is PDYBFTCFOOPYLF-ZBCRRDGASA-N. The full InChI is InChI=1S/C17H25N3/c1-4-13(2)14(3)20-12-19-11-17(20)16(18)10-15-8-6-5-7-9-15/h5-9,11-14,16H,4,10,18H2,1-3H3/t13?,14?,16-/m1/s1.
What are the key properties of (1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine?
(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine is sourced from PubChem (CID 104942446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).