2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine

C14H24BrNOS — CID 62725425

IUPAC2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CNCCOC)Cc1cc(Br)cs1
InChIInChI=1S/C14H24BrNOS/c1-4-5-14(2,11-16-6-7-17-3)9-13-8-12(15)10-18-13/h8,10,16H,4-7,9,11H2,1-3H3
InChIKeyDZUUZVLJPHFYDU-UHFFFAOYSA-N
MW334.32 g/mol
LogP4.10
Rot. Bonds9

About 2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine

2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine (PubChem CID 62725425) has the molecular formula C14H24BrNOS and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
PubChem CID62725425
Molecular FormulaC14H24BrNOS
Molecular Weight334.32 g/mol
Exact Mass333.08
IUPAC Name2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CNCCOC)Cc1cc(Br)cs1
InChIInChI=1S/C14H24BrNOS/c1-4-5-14(2,11-16-6-7-17-3)9-13-8-12(15)10-18-13/h8,10,16H,4-7,9,11H2,1-3H3
InChIKeyDZUUZVLJPHFYDU-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 63020328
2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62726236
2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 82929889
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025
1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol
CID 65146600
N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine
CID 55196240
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 55111248
4-ethyl-N-(2-methoxyethyl)-2-methyl-2-propylhexan-1-amine
CID 82929981
2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62717993
N-(2-methoxyethyl)-2,6-dimethyl-2-propylheptan-1-amine
CID 83168794
2-[(5-bromo-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 104810681
N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 114531438

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine (CID 62725425) is 2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine is CCCC(C)(CNCCOC)Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The InChIKey is DZUUZVLJPHFYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNOS/c1-4-5-14(2,11-16-6-7-17-3)9-13-8-12(15)10-18-13/h8,10,16H,4-7,9,11H2,1-3H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine?
2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine has a molecular weight of 334.32 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine is sourced from PubChem (CID 62725425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).