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

C16H23N3O — CID 61493250

IUPACN-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCn2ccnc2C)c1
InChIInChI=1S/C16H23N3O/c1-3-7-17-13-15-5-4-6-16(12-15)20-11-10-19-9-8-18-14(19)2/h4-6,8-9,12,17H,3,7,10-11,13H2,1-2H3
InChIKeyTVPRUYPSTYSJLI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.77
Rot. Bonds8

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

N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 61493250) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
PubChem CID61493250
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCn2ccnc2C)c1
InChIInChI=1S/C16H23N3O/c1-3-7-17-13-15-5-4-6-16(12-15)20-11-10-19-9-8-18-14(19)2/h4-6,8-9,12,17H,3,7,10-11,13H2,1-2H3
InChIKeyTVPRUYPSTYSJLI-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62446843
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491603
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388
N-[(3-pent-4-ynoxyphenyl)methyl]propan-1-amine
CID 113374110

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine (CID 61493250) is N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCCn2ccnc2C)c1.
What is the InChIKey of N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is TVPRUYPSTYSJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-7-17-13-15-5-4-6-16(12-15)20-11-10-19-9-8-18-14(19)2/h4-6,8-9,12,17H,3,7,10-11,13H2,1-2H3.
What are the key properties of N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61493250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).