5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine

C14H21Cl2N — CID 65316021

IUPAC5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2N/c1-4-17-11(3)7-10(2)8-12-9-13(15)5-6-14(12)16/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyVOCCDUDRYXGEJT-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.56
Rot. Bonds6

About 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine

5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine (PubChem CID 65316021) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine
PubChem CID65316021
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2N/c1-4-17-11(3)7-10(2)8-12-9-13(15)5-6-14(12)16/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyVOCCDUDRYXGEJT-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114
3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103516664
1,4-dichloro-2-(2-methylhexyl)benzene
CID 174519359
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245
1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
CID 115863195
N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine
CID 114842422
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine (CID 65316021) is 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine is CCNC(C)CC(C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine?
The InChIKey is VOCCDUDRYXGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-4-17-11(3)7-10(2)8-12-9-13(15)5-6-14(12)16/h5-6,9-11,17H,4,7-8H2,1-3H3.
What are the key properties of 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine?
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine has a molecular weight of 274.23 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 65316021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).