3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride

C14H20ClN3O — CID 17155515

IUPAC3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
SMILESCOc1cccc(CNCCCn2ccnc2)c1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-18-14-5-2-4-13(10-14)11-15-6-3-8-17-9-7-16-12-17;/h2,4-5,7,9-10,12,15H,3,6,8,11H2,1H3;1H
InChIKeyYUQRHSCOHSAJSD-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.49
Rot. Bonds7

About 3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride

3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride (PubChem CID 17155515) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
PubChem CID17155515
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
SMILESCOc1cccc(CNCCCn2ccnc2)c1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-18-14-5-2-4-13(10-14)11-15-6-3-8-17-9-7-16-12-17;/h2,4-5,7,9-10,12,15H,3,6,8,11H2,1H3;1H
InChIKeyYUQRHSCOHSAJSD-UHFFFAOYSA-N
XLogP2.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.49
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-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28832043
3-imidazol-1-yl-N-[(3-pentoxyphenyl)methyl]propan-1-amine
CID 54848865
3-imidazol-1-yl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156523
3-imidazol-1-yl-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 54848934
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
3-imidazol-1-yl-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17156431
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156201
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride (CID 17155515) is 3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride is COc1cccc(CNCCCn2ccnc2)c1.Cl.
What is the InChIKey of 3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride?
The InChIKey is YUQRHSCOHSAJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-18-14-5-2-4-13(10-14)11-15-6-3-8-17-9-7-16-12-17;/h2,4-5,7,9-10,12,15H,3,6,8,11H2,1H3;1H.
What are the key properties of 3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride?
3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 17155515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).