2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine

C13H22BrNS — CID 62529510

IUPAC2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine
SMILESCCNCC(Cc1sccc1Br)CC(C)C
InChIInChI=1S/C13H22BrNS/c1-4-15-9-11(7-10(2)3)8-13-12(14)5-6-16-13/h5-6,10-11,15H,4,7-9H2,1-3H3
InChIKeyPYZFXIMJUGBHEX-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.32
Rot. Bonds7

About 2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine

2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine (PubChem CID 62529510) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine
PubChem CID62529510
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine
SMILESCCNCC(Cc1sccc1Br)CC(C)C
InChIInChI=1S/C13H22BrNS/c1-4-15-9-11(7-10(2)3)8-13-12(14)5-6-16-13/h5-6,10-11,15H,4,7-9H2,1-3H3
InChIKeyPYZFXIMJUGBHEX-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine
CID 62529321
2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 63522590
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443317
2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 65327017
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62725350
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 63521377
1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
CID 62603747
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720763
2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-propan-2-ylpropan-1-amine
CID 63523324
N-[3-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 79432398

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine (CID 62529510) is 2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine is CCNCC(Cc1sccc1Br)CC(C)C.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine?
The InChIKey is PYZFXIMJUGBHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-4-15-9-11(7-10(2)3)8-13-12(14)5-6-16-13/h5-6,10-11,15H,4,7-9H2,1-3H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine?
2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine has a molecular weight of 304.30 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 62529510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).