2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol

C10H16BrNOS — CID 115133567

IUPAC2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-10(2,7-13)12-4-3-9-5-8(11)6-14-9/h5-6,12-13H,3-4,7H2,1-2H3
InChIKeyRJZYHNQUINWSAV-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.41
Rot. Bonds5

About 2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol

2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol (PubChem CID 115133567) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
PubChem CID115133567
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-10(2,7-13)12-4-3-9-5-8(11)6-14-9/h5-6,12-13H,3-4,7H2,1-2H3
InChIKeyRJZYHNQUINWSAV-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
3-(4-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 62530823
3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide
CID 115155059
2-(4-bromothiophen-2-yl)ethylhydrazine
CID 105220814
4-[2-(4-bromothiophen-2-yl)ethylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164883
4-[2-(4-bromothiophen-2-yl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165281
N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide
CID 115193942
3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine
CID 62530402
2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 115685147
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
4-(4-bromothiophen-2-yl)-2,2-dimethylbutanoic acid
CID 82489193
N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine
CID 115198009

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol (CID 115133567) is 2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol is CC(C)(CO)NCCc1cc(Br)cs1.
What is the InChIKey of 2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol?
The InChIKey is RJZYHNQUINWSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-10(2,7-13)12-4-3-9-5-8(11)6-14-9/h5-6,12-13H,3-4,7H2,1-2H3.
What are the key properties of 2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol?
2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol has a molecular weight of 278.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115133567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).