1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine

C16H25Cl2N — CID 55261862

IUPAC1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H25Cl2N/c1-6-19-15(9-11(2)16(3,4)5)13-10-12(17)7-8-14(13)18/h7-8,10-11,15,19H,6,9H2,1-5H3
InChIKeyLBRZZDBCKWEZJG-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.72
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine

1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine (PubChem CID 55261862) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine
PubChem CID55261862
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H25Cl2N/c1-6-19-15(9-11(2)16(3,4)5)13-10-12(17)7-8-14(13)18/h7-8,10-11,15,19H,6,9H2,1-5H3
InChIKeyLBRZZDBCKWEZJG-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 43492979
N-ethyl-3,4,4-trimethyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 115855108
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104545584
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
1-(2-chloro-4,5-dimethylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 115484152
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834587
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240
1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058545
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine (CID 55261862) is 1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine is CCNC(CC(C)C(C)(C)C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine?
The InChIKey is LBRZZDBCKWEZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-6-19-15(9-11(2)16(3,4)5)13-10-12(17)7-8-14(13)18/h7-8,10-11,15,19H,6,9H2,1-5H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine?
1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine has a molecular weight of 302.29 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 55261862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).