N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine

C15H18BrNS — CID 43673198

IUPACN-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(C)c1cccc(Br)c1)c1cccs1
InChIInChI=1S/C15H18BrNS/c1-3-14(15-8-5-9-18-15)17-11(2)12-6-4-7-13(16)10-12/h4-11,14,17H,3H2,1-2H3
InChIKeyZHJUDMRQAHMACH-UHFFFAOYSA-N
MW324.29 g/mol
LogP5.31
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine

N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 43673198) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID43673198
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(C)c1cccc(Br)c1)c1cccs1
InChIInChI=1S/C15H18BrNS/c1-3-14(15-8-5-9-18-15)17-11(2)12-6-4-7-13(16)10-12/h4-11,14,17H,3H2,1-2H3
InChIKeyZHJUDMRQAHMACH-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 81366139
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 81382664
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43734036
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine (CID 43673198) is N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine is CCC(NC(C)c1cccc(Br)c1)c1cccs1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is ZHJUDMRQAHMACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-14(15-8-5-9-18-15)17-11(2)12-6-4-7-13(16)10-12/h4-11,14,17H,3H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 324.29 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43673198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).