N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine

C16H25Cl2N — CID 102904235

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(NCC(C(C)C)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-10(2)15(11(3)4)9-19-12(5)14-7-6-13(17)8-16(14)18/h6-8,10-12,15,19H,9H2,1-5H3
InChIKeyUXWOALZHDWDYHB-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.57
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine

N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102904235) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102904235
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(NCC(C(C)C)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-10(2)15(11(3)4)9-19-12(5)14-7-6-13(17)8-16(14)18/h6-8,10-12,15,19H,9H2,1-5H3
InChIKeyUXWOALZHDWDYHB-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760939
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
CID 43095140
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
3-[1-(2,4-dichlorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025241
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
methyl 2-bromo-3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 103233959
3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787405

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine (CID 102904235) is N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine is CC(NCC(C(C)C)C(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is UXWOALZHDWDYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-10(2)15(11(3)4)9-19-12(5)14-7-6-13(17)8-16(14)18/h6-8,10-12,15,19H,9H2,1-5H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 302.29 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).