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

C15H23Cl2N — CID 43099770

IUPACN-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N/c1-3-4-5-6-12(2)18-10-9-13-7-8-14(16)11-15(13)17/h7-8,11-12,18H,3-6,9-10H2,1-2H3
InChIKeyVWIHIAZFEPRDGC-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.09
Rot. Bonds8

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

N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine (PubChem CID 43099770) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine
PubChem CID43099770
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N/c1-3-4-5-6-12(2)18-10-9-13-7-8-14(16)11-15(13)17/h7-8,11-12,18H,3-6,9-10H2,1-2H3
InChIKeyVWIHIAZFEPRDGC-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.09
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-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629500
N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 28532239
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
N-[2-(4-chloro-2-methylphenoxy)ethyl]heptan-2-amine
CID 63506416
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107704995
3-chloro-4-[(heptan-2-ylamino)methyl]benzonitrile
CID 102664229
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine (CID 43099770) is N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine is CCCCCC(C)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine?
The InChIKey is VWIHIAZFEPRDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-3-4-5-6-12(2)18-10-9-13-7-8-14(16)11-15(13)17/h7-8,11-12,18H,3-6,9-10H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine?
N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine has a molecular weight of 288.26 g/mol, XLogP of 5.09, 8 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]heptan-2-amine is sourced from PubChem (CID 43099770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).