[1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol

C10H14BrNOS — CID 116958297

IUPAC[1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol
SMILESCNC(c1cc(Br)cs1)C1(CO)CC1
InChIInChI=1S/C10H14BrNOS/c1-12-9(10(6-13)2-3-10)8-4-7(11)5-14-8/h4-5,9,12-13H,2-3,6H2,1H3
InChIKeyNBIKVKWMTGAMSQ-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.54
Rot. Bonds4

About [1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol

[1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol (PubChem CID 116958297) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is [1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol
PubChem CID116958297
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name[1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol
SMILESCNC(c1cc(Br)cs1)C1(CO)CC1
InChIInChI=1S/C10H14BrNOS/c1-12-9(10(6-13)2-3-10)8-4-7(11)5-14-8/h4-5,9,12-13H,2-3,6H2,1H3
InChIKeyNBIKVKWMTGAMSQ-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958336
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
[3-[(4-bromothiophen-2-yl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912982
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
4-(4-bromothiophen-2-yl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953738
(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 82295003
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959023
1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949880
[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958241
1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 107354446

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol (CID 116958297) is [1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol is CNC(c1cc(Br)cs1)C1(CO)CC1.
What is the InChIKey of [1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol?
The InChIKey is NBIKVKWMTGAMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-12-9(10(6-13)2-3-10)8-4-7(11)5-14-8/h4-5,9,12-13H,2-3,6H2,1H3.
What are the key properties of [1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol?
[1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol has a molecular weight of 276.20 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116958297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).