N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine

C15H21N3 — CID 62446817

IUPACN-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC(c1ccccc1)n1ccnc1
InChIInChI=1S/C15H21N3/c1-13(2)10-17-11-15(18-9-8-16-12-18)14-6-4-3-5-7-14/h3-9,12-13,15,17H,10-11H2,1-2H3
InChIKeySAQPARNAZMGHQP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.72
Rot. Bonds6

About N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine

N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine (PubChem CID 62446817) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine
PubChem CID62446817
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC(c1ccccc1)n1ccnc1
InChIInChI=1S/C15H21N3/c1-13(2)10-17-11-15(18-9-8-16-12-18)14-6-4-3-5-7-14/h3-9,12-13,15,17H,10-11H2,1-2H3
InChIKeySAQPARNAZMGHQP-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine (CID 62446817) is N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine is CC(C)CNCC(c1ccccc1)n1ccnc1.
What is the InChIKey of N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine?
The InChIKey is SAQPARNAZMGHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-13(2)10-17-11-15(18-9-8-16-12-18)14-6-4-3-5-7-14/h3-9,12-13,15,17H,10-11H2,1-2H3.
What are the key properties of N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine?
N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 62446817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).