N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine

C13H19Cl2N — CID 65316170

IUPACN-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-10(2)4-3-7-16-9-11-8-12(14)5-6-13(11)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyRNNYXURGDTZCOY-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.52
Rot. Bonds6

About N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine

N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine (PubChem CID 65316170) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
PubChem CID65316170
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-10(2)4-3-7-16-9-11-8-12(14)5-6-13(11)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyRNNYXURGDTZCOY-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 65316391
N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 103844872
N-[(2,5-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115762676
N-[(2-bromo-4-chlorophenyl)methyl]-5-methylhexan-1-amine
CID 115324662
N'-tert-butyl-N-[(2,5-dichlorophenyl)methyl]propane-1,3-diamine
CID 113410442
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
CID 115325198
N-[(2-chloro-5-nitrophenyl)methyl]-5-methylhexan-1-amine
CID 115324584
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
N-[(2,5-dichlorophenyl)methyl]pent-4-yn-1-amine
CID 103845120
4-chloro-N-[(2,5-dichlorophenyl)methyl]-2-methylbutan-1-amine
CID 66092712
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115761702

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine (CID 65316170) is N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine is CC(C)CCCNCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine?
The InChIKey is RNNYXURGDTZCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-10(2)4-3-7-16-9-11-8-12(14)5-6-13(11)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine?
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 65316170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).