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

C15H23Cl2N — CID 43503451

IUPACN-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine
SMILESCCC(NC(C)CC(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N/c1-5-15(18-11(4)8-10(2)3)13-7-6-12(16)9-14(13)17/h6-7,9-11,15,18H,5,8H2,1-4H3
InChIKeyHWWGKLYCFWFDJI-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.47
Rot. Bonds6

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

N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine (PubChem CID 43503451) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine
PubChem CID43503451
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine
SMILESCCC(NC(C)CC(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N/c1-5-15(18-11(4)8-10(2)3)13-7-6-12(16)9-14(13)17/h6-7,9-11,15,18H,5,8H2,1-4H3
InChIKeyHWWGKLYCFWFDJI-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
3-[1-(2,4-dichlorophenyl)propylamino]butanamide
CID 113342534
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 81374924
methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
CID 60780834
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43503382
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine (CID 43503451) is N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine is CCC(NC(C)CC(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine?
The InChIKey is HWWGKLYCFWFDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-5-15(18-11(4)8-10(2)3)13-7-6-12(16)9-14(13)17/h6-7,9-11,15,18H,5,8H2,1-4H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine?
N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine has a molecular weight of 288.26 g/mol, XLogP of 5.47, 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)propyl]-4-methylpentan-2-amine is sourced from PubChem (CID 43503451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).