1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine

C17H22BrNOS — CID 63461783

IUPAC1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine
SMILESCCCc1ccc(OC(c2ccc(Br)s2)C(N)CC)cc1
InChIInChI=1S/C17H22BrNOS/c1-3-5-12-6-8-13(9-7-12)20-17(14(19)4-2)15-10-11-16(18)21-15/h6-11,14,17H,3-5,19H2,1-2H3
InChIKeyIOTXSAKBMBBXIQ-UHFFFAOYSA-N
MW368.34 g/mol
LogP5.32
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine

1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine (PubChem CID 63461783) has the molecular formula C17H22BrNOS and a molecular weight of 368.34 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine
PubChem CID63461783
Molecular FormulaC17H22BrNOS
Molecular Weight368.34 g/mol
Exact Mass367.06
IUPAC Name1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine
SMILESCCCc1ccc(OC(c2ccc(Br)s2)C(N)CC)cc1
InChIInChI=1S/C17H22BrNOS/c1-3-5-12-6-8-13(9-7-12)20-17(14(19)4-2)15-10-11-16(18)21-15/h6-11,14,17H,3-5,19H2,1-2H3
InChIKeyIOTXSAKBMBBXIQ-UHFFFAOYSA-N
XLogP5.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)-1-(4-iodophenoxy)butan-2-amine
CID 63461575
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63460438
1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 62549234
1-(5-bromothiophen-2-yl)-1-octoxybutan-2-amine
CID 63461387
1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
CID 63461975
1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
CID 66276064
1-(5-bromothiophen-2-yl)-1-(4,4,4-trifluorobutoxy)butan-2-amine
CID 82788546
1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine
CID 62548031
1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine
CID 115492270
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine
CID 63694426
(5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43384444

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine (CID 63461783) is 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine is CCCc1ccc(OC(c2ccc(Br)s2)C(N)CC)cc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine?
The InChIKey is IOTXSAKBMBBXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNOS/c1-3-5-12-6-8-13(9-7-12)20-17(14(19)4-2)15-10-11-16(18)21-15/h6-11,14,17H,3-5,19H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine?
1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine has a molecular weight of 368.34 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine is sourced from PubChem (CID 63461783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).