N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine

C16H26FNO2S — CID 65097228

IUPACN-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
SMILESCCNCC(CCCS(=O)(=O)CC)Cc1ccccc1F
InChIInChI=1S/C16H26FNO2S/c1-3-18-13-14(8-7-11-21(19,20)4-2)12-15-9-5-6-10-16(15)17/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyHORCYPBMDVKIKQ-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.81
Rot. Bonds10

About N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine

N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine (PubChem CID 65097228) has the molecular formula C16H26FNO2S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
PubChem CID65097228
Molecular FormulaC16H26FNO2S
Molecular Weight315.45 g/mol
Exact Mass315.17
IUPAC NameN-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
SMILESCCNCC(CCCS(=O)(=O)CC)Cc1ccccc1F
InChIInChI=1S/C16H26FNO2S/c1-3-18-13-14(8-7-11-21(19,20)4-2)12-15-9-5-6-10-16(15)17/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyHORCYPBMDVKIKQ-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62514756
[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine
CID 105206869
2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 62515117
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456726
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
N,2-diethyl-5-ethylsulfonylpentan-1-amine
CID 65097608
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65489511
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 65096858

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine?
The IUPAC name of N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine (CID 65097228) is N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine?
The canonical SMILES for N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine is CCNCC(CCCS(=O)(=O)CC)Cc1ccccc1F.
What is the InChIKey of N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine?
The InChIKey is HORCYPBMDVKIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2S/c1-3-18-13-14(8-7-11-21(19,20)4-2)12-15-9-5-6-10-16(15)17/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine?
N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine has a molecular weight of 315.45 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine is sourced from PubChem (CID 65097228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).