N-[(3,5-dichlorophenyl)methyl]pentan-3-amine

C12H17Cl2N — CID 60788781

IUPACN-[(3,5-dichlorophenyl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-3-12(4-2)15-8-9-5-10(13)7-11(14)6-9/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyOYIFNRSXPYRDFN-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.27
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]pentan-3-amine

N-[(3,5-dichlorophenyl)methyl]pentan-3-amine (PubChem CID 60788781) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]pentan-3-amine
PubChem CID60788781
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC NameN-[(3,5-dichlorophenyl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-3-12(4-2)15-8-9-5-10(13)7-11(14)6-9/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyOYIFNRSXPYRDFN-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]butan-2-amine
CID 46736337
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
CID 104868163
N-[(3-chlorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115900016
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-[(3-chlorophenyl)methyl]heptan-3-amine
CID 4712076
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60788913
N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 60790289
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]pentan-3-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]pentan-3-amine (CID 60788781) is N-[(3,5-dichlorophenyl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]pentan-3-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]pentan-3-amine is CCC(CC)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]pentan-3-amine?
The InChIKey is OYIFNRSXPYRDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-3-12(4-2)15-8-9-5-10(13)7-11(14)6-9/h5-7,12,15H,3-4,8H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]pentan-3-amine?
N-[(3,5-dichlorophenyl)methyl]pentan-3-amine has a molecular weight of 246.18 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]pentan-3-amine is sourced from PubChem (CID 60788781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).