1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine

C12H20BrNOS — CID 62604643

IUPAC1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOC)Cc1ccc(Br)s1
InChIInChI=1S/C12H20BrNOS/c1-3-7-14-10(6-8-15-2)9-11-4-5-12(13)16-11/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyHAMQTMSYDAHXDL-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.46
Rot. Bonds8

About 1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine

1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine (PubChem CID 62604643) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
PubChem CID62604643
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOC)Cc1ccc(Br)s1
InChIInChI=1S/C12H20BrNOS/c1-3-7-14-10(6-8-15-2)9-11-4-5-12(13)16-11/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyHAMQTMSYDAHXDL-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525
4-(5-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79092455
3-(5-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089490
1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine
CID 105134900
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546567
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412878
1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 115841192
1-(5-bromothiophen-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214960
N-ethyl-1-(5-ethylthiophen-2-yl)-4-methoxybutan-2-amine
CID 62602949
1-(5-bromothiophen-2-yl)-3-(4-chlorophenoxy)-N-propylpropan-2-amine
CID 105134904
5-(5-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720991
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62605837

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine (CID 62604643) is 1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine is CCCNC(CCOC)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine?
The InChIKey is HAMQTMSYDAHXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-3-7-14-10(6-8-15-2)9-11-4-5-12(13)16-11/h4-5,10,14H,3,6-9H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine?
1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine has a molecular weight of 306.27 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine is sourced from PubChem (CID 62604643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).