2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine

C16H20BrNO2S — CID 60905963

IUPAC2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine
SMILESCCCOc1ccc(CCN)c(OCc2ccc(Br)s2)c1
InChIInChI=1S/C16H20BrNO2S/c1-2-9-19-13-4-3-12(7-8-18)15(10-13)20-11-14-5-6-16(17)21-14/h3-6,10H,2,7-9,11,18H2,1H3
InChIKeyAPKUJARWCDRMJP-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.38
Rot. Bonds8

About 2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine

2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine (PubChem CID 60905963) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is 2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine
PubChem CID60905963
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC Name2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine
SMILESCCCOc1ccc(CCN)c(OCc2ccc(Br)s2)c1
InChIInChI=1S/C16H20BrNO2S/c1-2-9-19-13-4-3-12(7-8-18)15(10-13)20-11-14-5-6-16(17)21-14/h3-6,10H,2,7-9,11,18H2,1H3
InChIKeyAPKUJARWCDRMJP-UHFFFAOYSA-N
XLogP4.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 61267654
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076
2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine
CID 104807530
2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 54930992
2-[2-(oxan-4-yloxy)-4-propoxyphenyl]ethanamine
CID 63936099
methyl 4-[2-(2-aminoethyl)-5-propoxyphenoxy]butanoate
CID 60905380
[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640347
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine?
The IUPAC name of 2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine (CID 60905963) is 2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine is CCCOc1ccc(CCN)c(OCc2ccc(Br)s2)c1.
What is the InChIKey of 2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine?
The InChIKey is APKUJARWCDRMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2S/c1-2-9-19-13-4-3-12(7-8-18)15(10-13)20-11-14-5-6-16(17)21-14/h3-6,10H,2,7-9,11,18H2,1H3.
What are the key properties of 2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine?
2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine has a molecular weight of 370.31 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine is sourced from PubChem (CID 60905963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).