N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine

C10H16BrNOS — CID 62732795

IUPACN-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-8(3-4-13-2)12-6-10-5-9(11)7-14-10/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyAUGCPCMFWCGNDI-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.03
Rot. Bonds6

About N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine

N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine (PubChem CID 62732795) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine
PubChem CID62732795
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-8(3-4-13-2)12-6-10-5-9(11)7-14-10/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyAUGCPCMFWCGNDI-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine with MolForge

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 75525502
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
N-[(4-bromothiophen-2-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271033
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
N-[(4-bromothiophen-2-yl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353716
N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432954
methyl 2-[(4-bromothiophen-2-yl)methylamino]-4-methylpentanoate
CID 43689116
methyl 2-[(4-bromothiophen-2-yl)methylamino]-3-methylpentanoate
CID 43732481
N-[(4-bromothiophen-2-yl)methyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 60961440
N-[(4-bromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223373

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine (CID 62732795) is N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine is COCCC(C)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine?
The InChIKey is AUGCPCMFWCGNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-8(3-4-13-2)12-6-10-5-9(11)7-14-10/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine has a molecular weight of 278.21 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 62732795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).