1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine

C14H18ClN3O — CID 61493141

IUPAC1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCCn1ccnc1C
InChIInChI=1S/C14H18ClN3O/c1-11-17-5-6-18(11)7-8-19-14-4-3-13(15)9-12(14)10-16-2/h3-6,9,16H,7-8,10H2,1-2H3
InChIKeyFZILSBHSKTXUAG-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.64
Rot. Bonds6

About 1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 61493141) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID61493141
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCCn1ccnc1C
InChIInChI=1S/C14H18ClN3O/c1-11-17-5-6-18(11)7-8-19-14-4-3-13(15)9-12(14)10-16-2/h3-6,9,16H,7-8,10H2,1-2H3
InChIKeyFZILSBHSKTXUAG-UHFFFAOYSA-N
XLogP2.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 63327094
1-[3-chloro-5-methoxy-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61492912
N-[[5-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 61493104
N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
CID 112608370
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 66159923
2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493842
1-[2-(4-chloro-2-methylphenoxy)ethyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine;formic acid
CID 172896968
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 64554992
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961547
N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493032

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 61493141) is 1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1OCCn1ccnc1C.
What is the InChIKey of 1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is FZILSBHSKTXUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-11-17-5-6-18(11)7-8-19-14-4-3-13(15)9-12(14)10-16-2/h3-6,9,16H,7-8,10H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61493141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).