[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine

C12H14ClN3O — CID 114318408

IUPAC[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cncc1COc1cccc(Cl)c1CN
InChIInChI=1S/C12H14ClN3O/c1-16-8-15-6-9(16)7-17-12-4-2-3-11(13)10(12)5-14/h2-4,6,8H,5,7,14H2,1H3
InChIKeyNFWFBEWPFCTLRB-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.11
Rot. Bonds4

About [2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine

[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 114318408) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is [2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
PubChem CID114318408
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cncc1COc1cccc(Cl)c1CN
InChIInChI=1S/C12H14ClN3O/c1-16-8-15-6-9(16)7-17-12-4-2-3-11(13)10(12)5-14/h2-4,6,8H,5,7,14H2,1H3
InChIKeyNFWFBEWPFCTLRB-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 66140699
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866452
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 103990878
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66141104
1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318711
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329
N-[[3-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 115954718
[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine
CID 114323851
[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 114318333

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine (CID 114318408) is [2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine is Cn1cncc1COc1cccc(Cl)c1CN.
What is the InChIKey of [2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is NFWFBEWPFCTLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-16-8-15-6-9(16)7-17-12-4-2-3-11(13)10(12)5-14/h2-4,6,8H,5,7,14H2,1H3.
What are the key properties of [2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine?
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 251.72 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 114318408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).