(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine

C16H20BrNS — CID 81382264

IUPAC(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
SMILESCCc1ccc(C(C)N[C@H](C)c2cccc(Br)c2)s1
InChIInChI=1S/C16H20BrNS/c1-4-15-8-9-16(19-15)12(3)18-11(2)13-6-5-7-14(17)10-13/h5-12,18H,4H2,1-3H3/t11-,12?/m1/s1
InChIKeyFVXWEZNEBCJKPP-JHJMLUEUSA-N
MW338.31 g/mol
LogP5.48
Rot. Bonds5

About (1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine

(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine (PubChem CID 81382264) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
PubChem CID81382264
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
SMILESCCc1ccc(C(C)N[C@H](C)c2cccc(Br)c2)s1
InChIInChI=1S/C16H20BrNS/c1-4-15-8-9-16(19-15)12(3)18-11(2)13-6-5-7-14(17)10-13/h5-12,18H,4H2,1-3H3/t11-,12?/m1/s1
InChIKeyFVXWEZNEBCJKPP-JHJMLUEUSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
2-[(3-bromophenyl)-chloromethyl]-5-ethylthiophene
CID 63431228
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 66241993
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(3-bromophenyl)ethanamine
CID 104982875
3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
CID 65187866
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine (CID 81382264) is (1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine is CCc1ccc(C(C)N[C@H](C)c2cccc(Br)c2)s1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is FVXWEZNEBCJKPP-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-4-15-8-9-16(19-15)12(3)18-11(2)13-6-5-7-14(17)10-13/h5-12,18H,4H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 338.31 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81382264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).