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

C15H18BrNS — CID 81360088

IUPAC(1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)N[C@@H](C)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H18BrNS/c1-10-4-9-15(18-10)12(3)17-11(2)13-5-7-14(16)8-6-13/h4-9,11-12,17H,1-3H3/t11-,12?/m0/s1
InChIKeyDSVSXWGGUDDTPY-PXYINDEMSA-N
MW324.29 g/mol
LogP5.23
Rot. Bonds4

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

(1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 81360088) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID81360088
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name(1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)N[C@@H](C)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H18BrNS/c1-10-4-9-15(18-10)12(3)17-11(2)13-5-7-14(16)8-6-13/h4-9,11-12,17H,1-3H3/t11-,12?/m0/s1
InChIKeyDSVSXWGGUDDTPY-PXYINDEMSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43726981
1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 82773617
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol
CID 43748540
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 114985837
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
1-(4-methyl-3-nitrophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473036
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473512

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (CID 81360088) is (1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is Cc1ccc(C(C)N[C@@H](C)c2ccc(Br)cc2)s1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is DSVSXWGGUDDTPY-PXYINDEMSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-10-4-9-15(18-10)12(3)17-11(2)13-5-7-14(16)8-6-13/h4-9,11-12,17H,1-3H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
(1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 324.29 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81360088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).