2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine

C15H24BrNO2S — CID 62515117

IUPAC2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
SMILESCCNCC(CCS(=O)(=O)CC)Cc1ccccc1Br
InChIInChI=1S/C15H24BrNO2S/c1-3-17-12-13(9-10-20(18,19)4-2)11-14-7-5-6-8-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyNPUSFECHMBDSGZ-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.04
Rot. Bonds9

About 2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine

2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine (PubChem CID 62515117) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
PubChem CID62515117
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC Name2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
SMILESCCNCC(CCS(=O)(=O)CC)Cc1ccccc1Br
InChIInChI=1S/C15H24BrNO2S/c1-3-17-12-13(9-10-20(18,19)4-2)11-14-7-5-6-8-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyNPUSFECHMBDSGZ-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine
CID 63520892
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
2-[(2-bromophenyl)methyl]-N-ethyldecan-1-amine
CID 63521420
N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
CID 65097228
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773561
2-[(2-bromophenyl)methyl]-5-ethylsulfonylpentan-1-ol
CID 66039051
2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
CID 113382947
N-ethyl-4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62516449
2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165923
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62514756

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine (CID 62515117) is 2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine is CCNCC(CCS(=O)(=O)CC)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine?
The InChIKey is NPUSFECHMBDSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-3-17-12-13(9-10-20(18,19)4-2)11-14-7-5-6-8-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine?
2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine has a molecular weight of 362.33 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine is sourced from PubChem (CID 62515117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).