1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine

C15H18BrNS — CID 105139457

IUPAC1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine
SMILESNC(CCCc1ccccc1)Cc1sccc1Br
InChIInChI=1S/C15H18BrNS/c16-14-9-10-18-15(14)11-13(17)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10,13H,4,7-8,11,17H2
InChIKeyJRWJQQHXUGHLDL-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.40
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine

1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine (PubChem CID 105139457) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine
PubChem CID105139457
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine
SMILESNC(CCCc1ccccc1)Cc1sccc1Br
InChIInChI=1S/C15H18BrNS/c16-14-9-10-18-15(14)11-13(17)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10,13H,4,7-8,11,17H2
InChIKeyJRWJQQHXUGHLDL-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.40
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-phenylbutan-2-ol
CID 62606159
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
7-phenylheptane-1,4-diamine
CID 174860311
(2S)-2-amino-5-phenylpentane-1-thiol
CID 87877101
1-phenyloctan-4-amine
CID 79413314
1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine
CID 65132986
1,4-diphenylbutan-2-amine
CID 60820174
3-bromo-2-(3-bromo-3-phenylpropyl)thiophene
CID 63471406
2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417719
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine (CID 105139457) is 1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine is NC(CCCc1ccccc1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine?
The InChIKey is JRWJQQHXUGHLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c16-14-9-10-18-15(14)11-13(17)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10,13H,4,7-8,11,17H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine?
1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine has a molecular weight of 324.29 g/mol, XLogP of 4.40, 6 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-phenylpentan-2-amine is sourced from PubChem (CID 105139457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).