1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine

C17H22BrNS — CID 80534878

IUPAC1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine
SMILESCCC(C)C(c1ccccc1)C(NC)c1sccc1Br
InChIInChI=1S/C17H22BrNS/c1-4-12(2)15(13-8-6-5-7-9-13)16(19-3)17-14(18)10-11-20-17/h5-12,15-16,19H,4H2,1-3H3
InChIKeyJZXADKZTLNQGJL-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.60
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine

1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine (PubChem CID 80534878) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine
PubChem CID80534878
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC Name1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine
SMILESCCC(C)C(c1ccccc1)C(NC)c1sccc1Br
InChIInChI=1S/C17H22BrNS/c1-4-12(2)15(13-8-6-5-7-9-13)16(19-3)17-14(18)10-11-20-17/h5-12,15-16,19H,4H2,1-3H3
InChIKeyJZXADKZTLNQGJL-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 80534954
1-(3-bromothiophen-2-yl)-N-ethyl-2-phenylbutan-1-amine
CID 80535854
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773064
N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine
CID 43490571
3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine
CID 43495942
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83153918
N-[1-(3-bromothiophen-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 43763214
3-bromo-2-(1-bromo-3-methyl-2-phenylpentyl)-5-methylthiophene
CID 65278191
N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine
CID 70397425
1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
CID 103459382
1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 106647998

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine (CID 80534878) is 1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine is CCC(C)C(c1ccccc1)C(NC)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine?
The InChIKey is JZXADKZTLNQGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-4-12(2)15(13-8-6-5-7-9-13)16(19-3)17-14(18)10-11-20-17/h5-12,15-16,19H,4H2,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine?
1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine has a molecular weight of 352.34 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine is sourced from PubChem (CID 80534878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).