N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine

C14H17Cl2N3O — CID 60881637

IUPACN-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1ncc(Cl)n1C
InChIInChI=1S/C14H17Cl2N3O/c1-3-17-7-10-6-11(15)4-5-12(10)20-9-14-18-8-13(16)19(14)2/h4-6,8,17H,3,7,9H2,1-2H3
InChIKeySMPGOGRORYEHJC-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.42
Rot. Bonds6

About N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine

N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 60881637) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID60881637
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1ncc(Cl)n1C
InChIInChI=1S/C14H17Cl2N3O/c1-3-17-7-10-6-11(15)4-5-12(10)20-9-14-18-8-13(16)19(14)2/h4-6,8,17H,3,7,9H2,1-2H3
InChIKeySMPGOGRORYEHJC-UHFFFAOYSA-N
XLogP3.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881259
N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 43525018
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60881078
N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66153433
N-[[5-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60881433
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696313
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 103037797
N-[[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999588

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine (CID 60881637) is N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1OCc1ncc(Cl)n1C.
What is the InChIKey of N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is SMPGOGRORYEHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-3-17-7-10-6-11(15)4-5-12(10)20-9-14-18-8-13(16)19(14)2/h4-6,8,17H,3,7,9H2,1-2H3.
What are the key properties of N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine?
N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 314.22 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 60881637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).