1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine

C13H17N3O — CID 60880613

IUPAC1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C13H17N3O/c1-14-10-12-2-4-13(5-3-12)17-9-8-16-7-6-15-11-16/h2-7,11,14H,8-10H2,1H3
InChIKeyXIZBTDXUPIPQQX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.68
Rot. Bonds6

About 1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine

1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine (PubChem CID 60880613) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
PubChem CID60880613
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C13H17N3O/c1-14-10-12-2-4-13(5-3-12)17-9-8-16-7-6-15-11-16/h2-7,11,14H,8-10H2,1H3
InChIKeyXIZBTDXUPIPQQX-UHFFFAOYSA-N
XLogP1.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
dimethyl (Z)-2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-propan-2-ylbut-2-enedioate
CID 66648818
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
1-[3-chloro-4-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 60878545
N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide
CID 145495218
2-(2-imidazol-1-ylethoxy)-N-methylethanamine
CID 106937829
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole
CID 99926038

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine (CID 60880613) is 1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine?
The InChIKey is XIZBTDXUPIPQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-14-10-12-2-4-13(5-3-12)17-9-8-16-7-6-15-11-16/h2-7,11,14H,8-10H2,1H3.
What are the key properties of 1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine?
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 60880613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).