(2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine

C15H21N3 — CID 126619821

IUPAC(2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine
SMILESCCc1ccc(-c2cn([C@@H](C)CNC)cn2)cc1
InChIInChI=1S/C15H21N3/c1-4-13-5-7-14(8-6-13)15-10-18(11-17-15)12(2)9-16-3/h5-8,10-12,16H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyYBYZFCXXFBBDBN-LBPRGKRZSA-N
MW243.35 g/mol
LogP2.89
Rot. Bonds5

About (2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine

(2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine (PubChem CID 126619821) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine
PubChem CID126619821
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine
SMILESCCc1ccc(-c2cn([C@@H](C)CNC)cn2)cc1
InChIInChI=1S/C15H21N3/c1-4-13-5-7-14(8-6-13)15-10-18(11-17-15)12(2)9-16-3/h5-8,10-12,16H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyYBYZFCXXFBBDBN-LBPRGKRZSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine?
The IUPAC name of (2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine (CID 126619821) is (2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for (2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for (2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine is CCc1ccc(-c2cn([C@@H](C)CNC)cn2)cc1.
What is the InChIKey of (2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine?
The InChIKey is YBYZFCXXFBBDBN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-13-5-7-14(8-6-13)15-10-18(11-17-15)12(2)9-16-3/h5-8,10-12,16H,4,9H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine?
(2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 126619821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).