N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine

C18H24BrNS — CID 107960815

IUPACN-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)CC)cc1)c1csc(Br)c1
InChIInChI=1S/C18H24BrNS/c1-4-10-20-18(16-11-17(19)21-12-16)15-8-6-14(7-9-15)13(3)5-2/h6-9,11-13,18,20H,4-5,10H2,1-3H3
InChIKeyQBWYMHDUSVYFJV-UHFFFAOYSA-N
MW366.37 g/mol
LogP6.11
Rot. Bonds7

About N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine

N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 107960815) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
PubChem CID107960815
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC NameN-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)CC)cc1)c1csc(Br)c1
InChIInChI=1S/C18H24BrNS/c1-4-10-20-18(16-11-17(19)21-12-16)15-8-6-14(7-9-15)13(3)5-2/h6-9,11-13,18,20H,4-5,10H2,1-3H3
InChIKeyQBWYMHDUSVYFJV-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691128
N-[(5-bromothiophen-3-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 105144437
N-[(5-bromothiophen-3-yl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 105142114
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693011
N-[(5-bromothiophen-3-yl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141905
N-[(5-bromothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 107960818
N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
CID 43495744
N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105150670
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105167470
N-[(5-bromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 105142862
N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]propan-1-amine
CID 107961246
N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164352

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine (CID 107960815) is N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C(C)CC)cc1)c1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is QBWYMHDUSVYFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-4-10-20-18(16-11-17(19)21-12-16)15-8-6-14(7-9-15)13(3)5-2/h6-9,11-13,18,20H,4-5,10H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine?
N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 366.37 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107960815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).