2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine

C16H26ClNO2S — CID 79436256

IUPAC2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine
SMILESCC(C)CNCC(CCCS(C)(=O)=O)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO2S/c1-13(2)11-18-12-14(7-6-10-21(3,19)20)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,6-7,10-12H2,1-3H3
InChIKeyCZVIHWYYKUJVFS-UHFFFAOYSA-N
MW331.91 g/mol
LogP3.49
Rot. Bonds9

About 2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine

2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine (PubChem CID 79436256) has the molecular formula C16H26ClNO2S and a molecular weight of 331.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine
PubChem CID79436256
Molecular FormulaC16H26ClNO2S
Molecular Weight331.91 g/mol
Exact Mass331.14
IUPAC Name2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine
SMILESCC(C)CNCC(CCCS(C)(=O)=O)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO2S/c1-13(2)11-18-12-14(7-6-10-21(3,19)20)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,6-7,10-12H2,1-3H3
InChIKeyCZVIHWYYKUJVFS-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79449274
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 79449044
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 79449397
2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341
2-(3-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79441196
1-(2,3-dichlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820999
1-(1-chloro-5-methylsulfonylpentan-2-yl)-2-fluorobenzene
CID 79454995
2-[(2-chlorophenyl)methyl]-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 63195694
2-(2-chlorophenyl)decan-1-ol;methanesulfonic acid
CID 88842519
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79437459

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine (CID 79436256) is 2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine is CC(C)CNCC(CCCS(C)(=O)=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine?
The InChIKey is CZVIHWYYKUJVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2S/c1-13(2)11-18-12-14(7-6-10-21(3,19)20)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,6-7,10-12H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine?
2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine has a molecular weight of 331.91 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 79436256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).