2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine

C15H24BrNO2S — CID 63196166

IUPAC2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine
SMILESCCNCC(CCCS(C)(=O)=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2S/c1-3-17-12-14(7-5-9-20(2,18)19)10-13-6-4-8-15(16)11-13/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3
InChIKeyVHWZJAHFSDZYAA-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.04
Rot. Bonds9

About 2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine

2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine (PubChem CID 63196166) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine
PubChem CID63196166
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC Name2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine
SMILESCCNCC(CCCS(C)(=O)=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2S/c1-3-17-12-14(7-5-9-20(2,18)19)10-13-6-4-8-15(16)11-13/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3
InChIKeyVHWZJAHFSDZYAA-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-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
1-(3-bromophenyl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 63191987
2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine
CID 63522817
2-[(3-bromophenyl)methyl]-N-ethyl-4-propan-2-yloxybutan-1-amine
CID 62514915
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929
N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine
CID 63195920
2-[(3-bromophenyl)methyl]-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617658
N-ethyl-4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62516449
2-(3-bromophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79443653
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 114137608

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine (CID 63196166) is 2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine is CCNCC(CCCS(C)(=O)=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine?
The InChIKey is VHWZJAHFSDZYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-3-17-12-14(7-5-9-20(2,18)19)10-13-6-4-8-15(16)11-13/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine?
2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-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-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 63196166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).