N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C16H23N3O — CID 63974744

IUPACN-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)cc1)c1nccn1C
InChIInChI=1S/C16H23N3O/c1-4-9-17-15(16-18-10-11-19(16)2)12-13-5-7-14(20-3)8-6-13/h5-8,10-11,15,17H,4,9,12H2,1-3H3
InChIKeyWRSISVDQDHBHRQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine

N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 63974744) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID63974744
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)cc1)c1nccn1C
InChIInChI=1S/C16H23N3O/c1-4-9-17-15(16-18-10-11-19(16)2)12-13-5-7-14(20-3)8-6-13/h5-8,10-11,15,17H,4,9,12H2,1-3H3
InChIKeyWRSISVDQDHBHRQ-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63974743
N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63977288
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63975598
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
N-[2-(5-bromo-3-pyridinyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 104803654
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63970416
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 63974744) is N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(OC)cc1)c1nccn1C.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is WRSISVDQDHBHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-9-17-15(16-18-10-11-19(16)2)12-13-5-7-14(20-3)8-6-13/h5-8,10-11,15,17H,4,9,12H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63974744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).