N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine

C15H21N3 — CID 42669828

IUPACN-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCc1ccccc1Cn1ccnc1CNC(C)C
InChIInChI=1S/C15H21N3/c1-12(2)17-10-15-16-8-9-18(15)11-14-7-5-4-6-13(14)3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyIHXSUUAPXBDLCV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds5

About N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine

N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine (PubChem CID 42669828) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
PubChem CID42669828
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCc1ccccc1Cn1ccnc1CNC(C)C
InChIInChI=1S/C15H21N3/c1-12(2)17-10-15-16-8-9-18(15)11-14-7-5-4-6-13(14)3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyIHXSUUAPXBDLCV-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine (CID 42669828) is N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine is Cc1ccccc1Cn1ccnc1CNC(C)C.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is IHXSUUAPXBDLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)17-10-15-16-8-9-18(15)11-14-7-5-4-6-13(14)3/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 42669828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).