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

C16H23N3 — CID 114708451

IUPACN-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CC(C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(14-8-6-5-7-9-14)11-19-12-18-10-15(19)16(2,3)17-4/h5-10,12-13,17H,11H2,1-4H3
InChIKeyDSHDONSMHKPKGH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.14
Rot. Bonds5

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

N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine (PubChem CID 114708451) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine
PubChem CID114708451
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CC(C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(14-8-6-5-7-9-14)11-19-12-18-10-15(19)16(2,3)17-4/h5-10,12-13,17H,11H2,1-4H3
InChIKeyDSHDONSMHKPKGH-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine (CID 114708451) is N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine is CNC(C)(C)c1cncn1CC(C)c1ccccc1.
What is the InChIKey of N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine?
The InChIKey is DSHDONSMHKPKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(14-8-6-5-7-9-14)11-19-12-18-10-15(19)16(2,3)17-4/h5-10,12-13,17H,11H2,1-4H3.
What are the key properties of N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine?
N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114708451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).