N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine

C16H23N3O — CID 114529898

IUPACN-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
SMILESCNC(CCOc1ccccc1)CCc1nccn1C
InChIInChI=1S/C16H23N3O/c1-17-14(8-9-16-18-11-12-19(16)2)10-13-20-15-6-4-3-5-7-15/h3-7,11-12,14,17H,8-10,13H2,1-2H3
InChIKeyBMZSXABBAFCZSL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.41
Rot. Bonds8

About N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine

N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine (PubChem CID 114529898) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
PubChem CID114529898
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
SMILESCNC(CCOc1ccccc1)CCc1nccn1C
InChIInChI=1S/C16H23N3O/c1-17-14(8-9-16-18-11-12-19(16)2)10-13-20-15-6-4-3-5-7-15/h3-7,11-12,14,17H,8-10,13H2,1-2H3
InChIKeyBMZSXABBAFCZSL-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
CID 114530119
1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
CID 102928065
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine
CID 114530623
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529956
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
CID 105228177
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine
CID 114532132

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine?
The IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine (CID 114529898) is N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine is CNC(CCOc1ccccc1)CCc1nccn1C.
What is the InChIKey of N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine?
The InChIKey is BMZSXABBAFCZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-14(8-9-16-18-11-12-19(16)2)10-13-20-15-6-4-3-5-7-15/h3-7,11-12,14,17H,8-10,13H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine?
N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine has a molecular weight of 273.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine is sourced from PubChem (CID 114529898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).