2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine

C18H25N3O — CID 165417099

IUPAC2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine
SMILESCOC1CCC(n2ccnc2-c2ccc(CCN)cc2)CC1
InChIInChI=1S/C18H25N3O/c1-22-17-8-6-16(7-9-17)21-13-12-20-18(21)15-4-2-14(3-5-15)10-11-19/h2-5,12-13,16-17H,6-11,19H2,1H3
InChIKeyRLQXKMJQBQWHPZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.18
Rot. Bonds5

About 2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine

2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine (PubChem CID 165417099) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine
PubChem CID165417099
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine
SMILESCOC1CCC(n2ccnc2-c2ccc(CCN)cc2)CC1
InChIInChI=1S/C18H25N3O/c1-22-17-8-6-16(7-9-17)21-13-12-20-18(21)15-4-2-14(3-5-15)10-11-19/h2-5,12-13,16-17H,6-11,19H2,1H3
InChIKeyRLQXKMJQBQWHPZ-UHFFFAOYSA-N
XLogP3.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
CID 165419000
5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
CID 165419504
1-(4-methoxycyclohexyl)imidazol-2-amine
CID 165480135
N-benzyl-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyrimidin-2-amine;formic acid
CID 171325246
2-(4-fluoro-2-methylphenyl)-1-(4-methoxycyclohexyl)imidazole
CID 165426417
5-[1-(4-methoxycyclohexyl)imidazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165421719
1-[(3S,4S)-4-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 165419444
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
2-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]ethanamine
CID 162637660
cis-(1S,3R)-3-[2-(4-butylphenyl)imidazol-1-yl]cyclohexan-1-ol;formic acid
CID 154919518
2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 61363149
4-[2-(4-bromophenyl)imidazol-1-yl]piperidine
CID 82559669

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine?
The IUPAC name of 2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine (CID 165417099) is 2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine is COC1CCC(n2ccnc2-c2ccc(CCN)cc2)CC1.
What is the InChIKey of 2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine?
The InChIKey is RLQXKMJQBQWHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-22-17-8-6-16(7-9-17)21-13-12-20-18(21)15-4-2-14(3-5-15)10-11-19/h2-5,12-13,16-17H,6-11,19H2,1H3.
What are the key properties of 2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine?
2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine has a molecular weight of 299.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine is sourced from PubChem (CID 165417099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).