N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine

C14H18ClN3O — CID 82901739

IUPACN-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1OC)c1cncn1C
InChIInChI=1S/C14H18ClN3O/c1-4-17-14(12-8-16-9-18(12)2)11-7-10(15)5-6-13(11)19-3/h5-9,14,17H,4H2,1-3H3
InChIKeyUFYZDBOTXPCIFT-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.78
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine

N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 82901739) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID82901739
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1OC)c1cncn1C
InChIInChI=1S/C14H18ClN3O/c1-4-17-14(12-8-16-9-18(12)2)11-7-10(15)5-6-13(11)19-3/h5-9,14,17H,4H2,1-3H3
InChIKeyUFYZDBOTXPCIFT-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105140922
N-[(5-chloro-2-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492434
N-[(5-chloro-2-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105140902
N-[(5-chloro-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62789336
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
N-[(5-chloro-2-methoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854831
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(5-chloro-2-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 104546028
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902455
N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491448
(5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135362
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine (CID 82901739) is N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1OC)c1cncn1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is UFYZDBOTXPCIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-4-17-14(12-8-16-9-18(12)2)11-7-10(15)5-6-13(11)19-3/h5-9,14,17H,4H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine?
N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 82901739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).