N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine

C14H16BrNS — CID 43494486

IUPACN-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-2-9-16-14(13-4-3-10-17-13)11-5-7-12(15)8-6-11/h3-8,10,14,16H,2,9H2,1H3
InChIKeyYBCBDVKZAKPXPN-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.60
Rot. Bonds5

About N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine

N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 43494486) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID43494486
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-2-9-16-14(13-4-3-10-17-13)11-5-7-12(15)8-6-11/h3-8,10,14,16H,2,9H2,1H3
InChIKeyYBCBDVKZAKPXPN-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine
CID 114988808
N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107979789
N-[(4-bromophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43494506
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
CID 63020418
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 106645278
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016
(1S)-1-(4-bromophenyl)-N-(dithiophen-2-ylmethyl)ethanamine
CID 81356826
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine (CID 43494486) is N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1ccc(Br)cc1)c1cccs1.
What is the InChIKey of N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is YBCBDVKZAKPXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-2-9-16-14(13-4-3-10-17-13)11-5-7-12(15)8-6-11/h3-8,10,14,16H,2,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 310.26 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 43494486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).