N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine

C15H20ClN3O — CID 66140107

IUPACN-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1OCc1cncn1C
InChIInChI=1S/C15H20ClN3O/c1-3-6-17-8-12-7-13(16)4-5-15(12)20-10-14-9-18-11-19(14)2/h4-5,7,9,11,17H,3,6,8,10H2,1-2H3
InChIKeyQUYRRXOFEPASLC-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.15
Rot. Bonds7

About N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 66140107) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID66140107
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1OCc1cncn1C
InChIInChI=1S/C15H20ClN3O/c1-3-6-17-8-12-7-13(16)4-5-15(12)20-10-14-9-18-11-19(14)2/h4-5,7,9,11,17H,3,6,8,10H2,1-2H3
InChIKeyQUYRRXOFEPASLC-UHFFFAOYSA-N
XLogP3.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.15
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-[[5-bromo-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66139711
N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66153433
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491520
N-[[5-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60883701
N-[[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 43278002
2-methyl-N-[[5-methyl-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 66141510
N-[[5-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107696179
N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 60881637
4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79360985

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine (CID 66140107) is N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cc(Cl)ccc1OCc1cncn1C.
What is the InChIKey of N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is QUYRRXOFEPASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-6-17-8-12-7-13(16)4-5-15(12)20-10-14-9-18-11-19(14)2/h4-5,7,9,11,17H,3,6,8,10H2,1-2H3.
What are the key properties of N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 293.80 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 66140107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).