N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine

C13H19Cl2N — CID 28532239

IUPACN-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-12(4-2)16-8-7-10-5-6-11(14)9-13(10)15/h5-6,9,12,16H,3-4,7-8H2,1-2H3
InChIKeyCKRTXKBMSVPARC-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.31
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine

N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine (PubChem CID 28532239) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
PubChem CID28532239
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-12(4-2)16-8-7-10-5-6-11(14)9-13(10)15/h5-6,9,12,16H,3-4,7-8H2,1-2H3
InChIKeyCKRTXKBMSVPARC-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206
N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine
CID 43099770
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629500
5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107704995
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
4-[1-(2,4-dichlorophenyl)butan-2-ylamino]-2,2-dimethylbutanoic acid
CID 122127278
1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 63422466
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
3-[(2,4-dichlorophenyl)methylamino]pentanenitrile
CID 62646740
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine (CID 28532239) is N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine is CCC(CC)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine?
The InChIKey is CKRTXKBMSVPARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-3-12(4-2)16-8-7-10-5-6-11(14)9-13(10)15/h5-6,9,12,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine?
N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine has a molecular weight of 260.21 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine is sourced from PubChem (CID 28532239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).