4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine

C14H16BrNS — CID 81010701

IUPAC4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine
SMILESNCC(CCc1sccc1Br)c1ccccc1
InChIInChI=1S/C14H16BrNS/c15-13-8-9-17-14(13)7-6-12(10-16)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10,16H2
InChIKeyDRLFVIPVXLMBRZ-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.19
Rot. Bonds5

About 4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine

4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine (PubChem CID 81010701) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine
PubChem CID81010701
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine
SMILESNCC(CCc1sccc1Br)c1ccccc1
InChIInChI=1S/C14H16BrNS/c15-13-8-9-17-14(13)7-6-12(10-16)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10,16H2
InChIKeyDRLFVIPVXLMBRZ-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(3-bromo-3-phenylpropyl)thiophene
CID 63471406
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416744
2-phenylbutane-1,4-diamine
CID 16770348
5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one
CID 116570893
4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
CID 64500989
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
2-phenylpentane-1,5-diamine
CID 22770284
2-phenylpentan-1-amine
CID 14321247
1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine
CID 105139457
4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine
CID 113456145
4-(2,6-difluorophenyl)-2-phenylbutan-1-amine
CID 114935148

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine?
The IUPAC name of 4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine (CID 81010701) is 4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine is NCC(CCc1sccc1Br)c1ccccc1.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine?
The InChIKey is DRLFVIPVXLMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c15-13-8-9-17-14(13)7-6-12(10-16)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10,16H2.
What are the key properties of 4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine?
4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine has a molecular weight of 310.26 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 81010701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).