N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine

C18H24BrNS — CID 43496386

IUPACN-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine
SMILESCCCCc1ccc(C(NCCC)c2ccc(Br)s2)cc1
InChIInChI=1S/C18H24BrNS/c1-3-5-6-14-7-9-15(10-8-14)18(20-13-4-2)16-11-12-17(19)21-16/h7-12,18,20H,3-6,13H2,1-2H3
InChIKeyNXUSPNXQGWDERH-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.94
Rot. Bonds8

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

N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine (PubChem CID 43496386) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine
PubChem CID43496386
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC NameN-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine
SMILESCCCCc1ccc(C(NCCC)c2ccc(Br)s2)cc1
InChIInChI=1S/C18H24BrNS/c1-3-5-6-14-7-9-15(10-8-14)18(20-13-4-2)16-11-12-17(19)21-16/h7-12,18,20H,3-6,13H2,1-2H3
InChIKeyNXUSPNXQGWDERH-UHFFFAOYSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[(4-butylphenyl)-chloromethyl]thiophene
CID 63431686
N-[(5-bromothiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544380
N-[(3-bromo-4-methoxyphenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 43493838
N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
CID 43496753
N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine
CID 63502746
N-[(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 80532243
N-[(5-bromo-4-methylthiophen-2-yl)-(4-butylphenyl)methyl]ethanamine
CID 79977205
N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
CID 78917639
N-[(5-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 65237372
N-[(5-bromothiophen-3-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 105144437
N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 61102833
N-[(5-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096496

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine (CID 43496386) is N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine is CCCCc1ccc(C(NCCC)c2ccc(Br)s2)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine?
The InChIKey is NXUSPNXQGWDERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-3-5-6-14-7-9-15(10-8-14)18(20-13-4-2)16-11-12-17(19)21-16/h7-12,18,20H,3-6,13H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine?
N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine has a molecular weight of 366.37 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43496386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).