1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine

C18H24BrNS — CID 105139445

IUPAC1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CCCc1ccccc1)Cc1sccc1Br
InChIInChI=1S/C18H24BrNS/c1-2-12-20-16(14-18-17(19)11-13-21-18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11,13,16,20H,2,6,9-10,12,14H2,1H3
InChIKeySTBKJTHKKIWLQY-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.44
Rot. Bonds9

About 1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine

1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine (PubChem CID 105139445) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
PubChem CID105139445
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC Name1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CCCc1ccccc1)Cc1sccc1Br
InChIInChI=1S/C18H24BrNS/c1-2-12-20-16(14-18-17(19)11-13-21-18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11,13,16,20H,2,6,9-10,12,14H2,1H3
InChIKeySTBKJTHKKIWLQY-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine
CID 105139650
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 105139656
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine
CID 105139457
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928573
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
CID 115848931
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105139578
1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine (CID 105139445) is 1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine is CCCNC(CCCc1ccccc1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine?
The InChIKey is STBKJTHKKIWLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-2-12-20-16(14-18-17(19)11-13-21-18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11,13,16,20H,2,6,9-10,12,14H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine?
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine has a molecular weight of 366.37 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine is sourced from PubChem (CID 105139445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).