N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine

C15H21N3O — CID 112608370

IUPACN-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
SMILESCNCc1cccc(C)c1OCCn1ccnc1C
InChIInChI=1S/C15H21N3O/c1-12-5-4-6-14(11-16-3)15(12)19-10-9-18-8-7-17-13(18)2/h4-8,16H,9-11H2,1-3H3
InChIKeyBWHKFPCDJXOKAY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.30
Rot. Bonds6

About N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine

N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine (PubChem CID 112608370) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
PubChem CID112608370
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
SMILESCNCc1cccc(C)c1OCCn1ccnc1C
InChIInChI=1S/C15H21N3O/c1-12-5-4-6-14(11-16-3)15(12)19-10-9-18-8-7-17-13(18)2/h4-8,16H,9-11H2,1-3H3
InChIKeyBWHKFPCDJXOKAY-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 115953317
N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493253
1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61493141
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
1-[2-(4,4-dimethylpentoxy)-3-methylphenyl]-N-methylmethanamine
CID 114209330
N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999924
1-[3-chloro-5-methoxy-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61492912
1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952206
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
CID 66400746
N-[[5-bromo-3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 115961191

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine (CID 112608370) is N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine is CNCc1cccc(C)c1OCCn1ccnc1C.
What is the InChIKey of N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is BWHKFPCDJXOKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-5-4-6-14(11-16-3)15(12)19-10-9-18-8-7-17-13(18)2/h4-8,16H,9-11H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine?
N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 112608370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).