3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol

C12H20BrNOS — CID 115919436

IUPAC3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(C)Cc1csc(Br)c1
InChIInChI=1S/C12H20BrNOS/c1-4-12(15,5-2)9-14(3)7-10-6-11(13)16-8-10/h6,8,15H,4-5,7,9H2,1-3H3
InChIKeySMUULDFSLZTWAC-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.49
Rot. Bonds6

About 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol

3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol (PubChem CID 115919436) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol
PubChem CID115919436
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(C)Cc1csc(Br)c1
InChIInChI=1S/C12H20BrNOS/c1-4-12(15,5-2)9-14(3)7-10-6-11(13)16-8-10/h6,8,15H,4-5,7,9H2,1-3H3
InChIKeySMUULDFSLZTWAC-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol with MolForge

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Related Compounds

4-[(5-bromothiophen-3-yl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66452184
N'-[(5-bromothiophen-3-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928808
1-[(5-bromothiophen-3-yl)methyl-methylamino]butan-2-one
CID 62039108
N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62260869
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62557712
N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260009
N-[(5-bromothiophen-3-yl)methyl]-N'-ethyl-N-methyl-2-methylidenepropane-1,3-diamine
CID 103069893
1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-chloropropan-2-ol
CID 112561425
[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976688
1-(3-bromo-5-fluorophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylmethanamine
CID 79706654
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 65002893
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol (CID 115919436) is 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol is CCC(O)(CC)CN(C)Cc1csc(Br)c1.
What is the InChIKey of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol?
The InChIKey is SMUULDFSLZTWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-4-12(15,5-2)9-14(3)7-10-6-11(13)16-8-10/h6,8,15H,4-5,7,9H2,1-3H3.
What are the key properties of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol?
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol has a molecular weight of 306.27 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 115919436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).