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

C15H20ClN3O — CID 46991754

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCN(Cc1cc(Cl)ccc1OC)Cc1nccn1C
InChIInChI=1S/C15H20ClN3O/c1-4-19(11-15-17-7-8-18(15)2)10-12-9-13(16)5-6-14(12)20-3/h5-9H,4,10-11H2,1-3H3
InChIKeyOVOZKVAVKROLGU-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.10
Rot. Bonds6

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

N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 46991754) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID46991754
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCN(Cc1cc(Cl)ccc1OC)Cc1nccn1C
InChIInChI=1S/C15H20ClN3O/c1-4-19(11-15-17-7-8-18(15)2)10-12-9-13(16)5-6-14(12)20-3/h5-9H,4,10-11H2,1-3H3
InChIKeyOVOZKVAVKROLGU-UHFFFAOYSA-N
XLogP3.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Croconazole
CID 2880
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
1-[3-(4-Chloro-3,5-Dimethylphenoxy)benzyl]-1h-Imidazole
CID 71601807
5-chloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methoxybenzamide
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1-[6-(4-Chloro-3,5-dimethylphenoxy)hexyl]imidazole
CID 2853905
2-(4-Chloro-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697070
Croconazole Hydrochloride
CID 147519
1-[4-(2-chloro-4-methylphenoxy)butyl]-1H-imidazole
CID 2851545
Cambridge id 5560232
CID 2852681
1-[[3-[(4-Chlorophenyl)methoxy]phenyl]methyl]imidazole
CID 12903380
1-[4-Chloro-2-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15916936
1-[(4-Chloro-phenyl)-(4-methoxy-phenyl)-methyl]-1H-imidazole
CID 44356594

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 46991754) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine is CCN(Cc1cc(Cl)ccc1OC)Cc1nccn1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is OVOZKVAVKROLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-19(11-15-17-7-8-18(15)2)10-12-9-13(16)5-6-14(12)20-3/h5-9H,4,10-11H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 293.80 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 46991754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).