2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol

C11H16BrNOS — CID 115685147

IUPAC2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol
SMILESCC(CO)(NCc1cc(Br)cs1)C1CC1
InChIInChI=1S/C11H16BrNOS/c1-11(7-14,8-2-3-8)13-5-10-4-9(12)6-15-10/h4,6,8,13-14H,2-3,5,7H2,1H3
InChIKeyRRWAGVDCVDFCCC-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.76
Rot. Bonds5

About 2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol

2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol (PubChem CID 115685147) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol
PubChem CID115685147
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol
SMILESCC(CO)(NCc1cc(Br)cs1)C1CC1
InChIInChI=1S/C11H16BrNOS/c1-11(7-14,8-2-3-8)13-5-10-4-9(12)6-15-10/h4,6,8,13-14H,2-3,5,7H2,1H3
InChIKeyRRWAGVDCVDFCCC-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromothiophen-2-yl)methylamino]-2-methylpropanoic acid
CID 65263735
N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine
CID 54866584
2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 115133567
3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148913
2-cyclopropyl-2-(furan-3-ylmethylamino)propan-1-ol
CID 115685163
1-[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 43747754
1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol
CID 65153708
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine
CID 119929049
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
(2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol
CID 99809997

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol (CID 115685147) is 2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol is CC(CO)(NCc1cc(Br)cs1)C1CC1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol?
The InChIKey is RRWAGVDCVDFCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-11(7-14,8-2-3-8)13-5-10-4-9(12)6-15-10/h4,6,8,13-14H,2-3,5,7H2,1H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol?
2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol has a molecular weight of 290.23 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 115685147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).