N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

C12H17N3 — CID 115601227

IUPACN-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccccc1CCNC1=NCCN1
InChIInChI=1S/C12H17N3/c1-10-4-2-3-5-11(10)6-7-13-12-14-8-9-15-12/h2-5H,6-9H2,1H3,(H2,13,14,15)
InChIKeyBFYLKJLRDJKEGS-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.09
Rot. Bonds3

About N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601227) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601227
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccccc1CCNC1=NCCN1
InChIInChI=1S/C12H17N3/c1-10-4-2-3-5-11(10)6-7-13-12-14-8-9-15-12/h2-5H,6-9H2,1H3,(H2,13,14,15)
InChIKeyBFYLKJLRDJKEGS-UHFFFAOYSA-N
XLogP1.09
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 56935582
N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915371
N-[2-(2-nitrophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119138331
N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 90678855
N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422349
2-methyl-N-[2-(2-methylphenyl)ethyl]butan-2-amine
CID 54852975
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917745
N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine
CID 79034324
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 103677227
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 115601227) is N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is Cc1ccccc1CCNC1=NCCN1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BFYLKJLRDJKEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-4-2-3-5-11(10)6-7-13-12-14-8-9-15-12/h2-5H,6-9H2,1H3,(H2,13,14,15).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).