N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine

C14H21Cl2N — CID 43095140

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N/c1-4-5-10(2)9-17-11(3)13-7-6-12(15)8-14(13)16/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyXFBRNGXXHRHDTR-UHFFFAOYSA-N
MW274.24 g/mol
LogP5.08
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine

N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine (PubChem CID 43095140) has the molecular formula C14H21Cl2N and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
PubChem CID43095140
Molecular FormulaC14H21Cl2N
Molecular Weight274.24 g/mol
Exact Mass273.11
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N/c1-4-5-10(2)9-17-11(3)13-7-6-12(15)8-14(13)16/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyXFBRNGXXHRHDTR-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.24
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787405
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
(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
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
CID 63448800
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
3-[1-(2,4-dichlorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025241

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine (CID 43095140) is N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine is CCCC(C)CNC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine?
The InChIKey is XFBRNGXXHRHDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-4-5-10(2)9-17-11(3)13-7-6-12(15)8-14(13)16/h6-8,10-11,17H,4-5,9H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine has a molecular weight of 274.24 g/mol, XLogP of 5.08, 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]-2-methylpentan-1-amine is sourced from PubChem (CID 43095140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).