N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine

C16H22ClN3O — CID 81145300

IUPACN-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCCc1nccn1-c1ccc(CNCCOC)cc1Cl
InChIInChI=1S/C16H22ClN3O/c1-3-4-16-19-7-9-20(16)15-6-5-13(11-14(15)17)12-18-8-10-21-2/h5-7,9,11,18H,3-4,8,10,12H2,1-2H3
InChIKeyWJWZWSFKNHVOOM-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.21
Rot. Bonds8

About N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine

N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 81145300) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID81145300
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC NameN-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCCc1nccn1-c1ccc(CNCCOC)cc1Cl
InChIInChI=1S/C16H22ClN3O/c1-3-4-16-19-7-9-20(16)15-6-5-13(11-14(15)17)12-18-8-10-21-2/h5-7,9,11,18H,3-4,8,10,12H2,1-2H3
InChIKeyWJWZWSFKNHVOOM-UHFFFAOYSA-N
XLogP3.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.21
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

N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81145297
N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406336
N-[(3-chloro-4-pyrazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 81150264
N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056352
N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81148385
1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine
CID 81150062
N-[[4-(azepan-1-yl)-3-chlorophenyl]methyl]-2-methoxyethanamine
CID 81148520
N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62124555
N-[[3-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 83219563
N-[[3-chloro-4-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81144196
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole
CID 107085938

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine (CID 81145300) is N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine is CCCc1nccn1-c1ccc(CNCCOC)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is WJWZWSFKNHVOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-3-4-16-19-7-9-20(16)15-6-5-13(11-14(15)17)12-18-8-10-21-2/h5-7,9,11,18H,3-4,8,10,12H2,1-2H3.
What are the key properties of N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 307.83 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 81145300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).