2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine

C18H24BrNS — CID 63496730

IUPAC2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
SMILESCC(C)(C)NCC(Cc1ccccc1)Cc1ccc(Br)s1
InChIInChI=1S/C18H24BrNS/c1-18(2,3)20-13-15(11-14-7-5-4-6-8-14)12-16-9-10-17(19)21-16/h4-10,15,20H,11-13H2,1-3H3
InChIKeyFXBWQVKYQDNNOV-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.30
Rot. Bonds6

About 2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine

2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine (PubChem CID 63496730) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
PubChem CID63496730
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC Name2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
SMILESCC(C)(C)NCC(Cc1ccccc1)Cc1ccc(Br)s1
InChIInChI=1S/C18H24BrNS/c1-18(2,3)20-13-15(11-14-7-5-4-6-8-14)12-16-9-10-17(19)21-16/h4-10,15,20H,11-13H2,1-3H3
InChIKeyFXBWQVKYQDNNOV-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
CID 63496194
N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79424142
2-[(3-bromophenyl)methyl]-3-(5-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63522640
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 62516078
N-[(5-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012083
N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
CID 63521195
N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
CID 106042494
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine
CID 83178583
2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine
CID 103036645
2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63521943
2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 66060745
2-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]thiophene
CID 66041103

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine?
The IUPAC name of 2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine (CID 63496730) is 2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine?
The canonical SMILES for 2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine is CC(C)(C)NCC(Cc1ccccc1)Cc1ccc(Br)s1.
What is the InChIKey of 2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine?
The InChIKey is FXBWQVKYQDNNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-18(2,3)20-13-15(11-14-7-5-4-6-8-14)12-16-9-10-17(19)21-16/h4-10,15,20H,11-13H2,1-3H3.
What are the key properties of 2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine?
2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine has a molecular weight of 366.37 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine is sourced from PubChem (CID 63496730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).