N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine

C14H21N3 — CID 25102673

IUPACN,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCc1cccc(CCN2CCN=C2N(C)C)c1
InChIInChI=1S/C14H21N3/c1-12-5-4-6-13(11-12)7-9-17-10-8-15-14(17)16(2)3/h4-6,11H,7-10H2,1-3H3
InChIKeyFJWLJSOOHPAJFX-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.77
Rot. Bonds3

About N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine

N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 25102673) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID25102673
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCc1cccc(CCN2CCN=C2N(C)C)c1
InChIInChI=1S/C14H21N3/c1-12-5-4-6-13(11-12)7-9-17-10-8-15-14(17)16(2)3/h4-6,11H,7-10H2,1-3H3
InChIKeyFJWLJSOOHPAJFX-UHFFFAOYSA-N
XLogP1.77
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine (CID 25102673) is N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine is Cc1cccc(CCN2CCN=C2N(C)C)c1.
What is the InChIKey of N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is FJWLJSOOHPAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-12-5-4-6-13(11-12)7-9-17-10-8-15-14(17)16(2)3/h4-6,11H,7-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine?
N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 231.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).