1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C14H16BrNS — CID 60663960

IUPAC1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(Br)cc2)s1
InChIInChI=1S/C14H16BrNS/c1-10-3-8-14(17-10)9-16-11(2)12-4-6-13(15)7-5-12/h3-8,11,16H,9H2,1-2H3
InChIKeyQTYPLYWUFDHEIU-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.67
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 60663960) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID60663960
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(Br)cc2)s1
InChIInChI=1S/C14H16BrNS/c1-10-3-8-14(17-10)9-16-11(2)12-4-6-13(15)7-5-12/h3-8,11,16H,9H2,1-2H3
InChIKeyQTYPLYWUFDHEIU-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 78921804
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 103245719
1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43223863
1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43078567
(1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
CID 125467354
N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 71892205
1-(5-bromo-1-benzofuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62055857
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 60663960) is 1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNC(C)c2ccc(Br)cc2)s1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is QTYPLYWUFDHEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-3-8-14(17-10)9-16-11(2)12-4-6-13(15)7-5-12/h3-8,11,16H,9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 60663960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).