1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine

C14H18ClN3O — CID 60887486

IUPAC1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCc2ncc(Cl)n2C)c(C(C)N)c1
InChIInChI=1S/C14H18ClN3O/c1-9-4-5-12(11(6-9)10(2)16)19-8-14-17-7-13(15)18(14)3/h4-7,10H,8,16H2,1-3H3
InChIKeyADMQDGOWASHPEE-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.98
Rot. Bonds4

About 1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine

1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine (PubChem CID 60887486) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine
PubChem CID60887486
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCc2ncc(Cl)n2C)c(C(C)N)c1
InChIInChI=1S/C14H18ClN3O/c1-9-4-5-12(11(6-9)10(2)16)19-8-14-17-7-13(15)18(14)3/h4-7,10H,8,16H2,1-3H3
InChIKeyADMQDGOWASHPEE-UHFFFAOYSA-N
XLogP2.98
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78936109
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
CID 78932860
1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 60890187
(1R)-1-[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 78933015
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 78936782
(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936431
(1R)-1-[5-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63367368
(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine
CID 79025599
(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 102949040
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 78936430
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932255

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine?
The IUPAC name of 1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine (CID 60887486) is 1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine.
What is the SMILES notation for 1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine?
The canonical SMILES for 1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine is Cc1ccc(OCc2ncc(Cl)n2C)c(C(C)N)c1.
What is the InChIKey of 1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine?
The InChIKey is ADMQDGOWASHPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9-4-5-12(11(6-9)10(2)16)19-8-14-17-7-13(15)18(14)3/h4-7,10H,8,16H2,1-3H3.
What are the key properties of 1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine?
1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine is sourced from PubChem (CID 60887486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).