1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine

C14H15BrClNOS — CID 62073711

IUPAC1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1cc(Br)cs1
InChIInChI=1S/C14H15BrClNOS/c1-9(17-2)13-6-11(16)3-4-14(13)18-7-12-5-10(15)8-19-12/h3-6,8-9,17H,7H2,1-2H3
InChIKeySSPCECBCKUQHLY-UHFFFAOYSA-N
MW360.70 g/mol
LogP5.02
Rot. Bonds5

About 1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine

1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine (PubChem CID 62073711) has the molecular formula C14H15BrClNOS and a molecular weight of 360.70 g/mol. Its IUPAC name is 1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
PubChem CID62073711
Molecular FormulaC14H15BrClNOS
Molecular Weight360.70 g/mol
Exact Mass358.97
IUPAC Name1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1cc(Br)cs1
InChIInChI=1S/C14H15BrClNOS/c1-9(17-2)13-6-11(16)3-4-14(13)18-7-12-5-10(15)8-19-12/h3-6,8-9,17H,7H2,1-2H3
InChIKeySSPCECBCKUQHLY-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.70
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methyl]propan-2-amine
CID 63501318
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 104796252
1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716897
1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 103046401
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 63499236
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine
CID 63775283
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine (CID 62073711) is 1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine is CNC(C)c1cc(Cl)ccc1OCc1cc(Br)cs1.
What is the InChIKey of 1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine?
The InChIKey is SSPCECBCKUQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNOS/c1-9(17-2)13-6-11(16)3-4-14(13)18-7-12-5-10(15)8-19-12/h3-6,8-9,17H,7H2,1-2H3.
What are the key properties of 1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine?
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine has a molecular weight of 360.70 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine is sourced from PubChem (CID 62073711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).