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

C12H17N3 — CID 104921027

IUPACN-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccc([C@@H](C)NC2=NCCN2)cc1
InChIInChI=1S/C12H17N3/c1-9-3-5-11(6-4-9)10(2)15-12-13-7-8-14-12/h3-6,10H,7-8H2,1-2H3,(H2,13,14,15)/t10-/m1/s1
InChIKeyKSSHIEMTBABBCF-SNVBAGLBSA-N
MW203.29 g/mol
LogP1.60
Rot. Bonds2

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

N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 104921027) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID104921027
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccc([C@@H](C)NC2=NCCN2)cc1
InChIInChI=1S/C12H17N3/c1-9-3-5-11(6-4-9)10(2)15-12-13-7-8-14-12/h3-6,10H,7-8H2,1-2H3,(H2,13,14,15)/t10-/m1/s1
InChIKeyKSSHIEMTBABBCF-SNVBAGLBSA-N
XLogP1.60
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 104921027) is N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is Cc1ccc([C@@H](C)NC2=NCCN2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is KSSHIEMTBABBCF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-3-5-11(6-4-9)10(2)15-12-13-7-8-14-12/h3-6,10H,7-8H2,1-2H3,(H2,13,14,15)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 104921027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).