4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine

C15H25ClN2 — CID 55142410

IUPAC4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
SMILESCNCCCC(C)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-12(7-6-10-17-3)18(4)13(2)14-8-5-9-15(16)11-14/h5,8-9,11-13,17H,6-7,10H2,1-4H3
InChIKeyDDYZSNOGRICJLF-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.72
Rot. Bonds7

About 4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine

4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine (PubChem CID 55142410) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
PubChem CID55142410
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
SMILESCNCCCC(C)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-12(7-6-10-17-3)18(4)13(2)14-8-5-9-15(16)11-14/h5,8-9,11-13,17H,6-7,10H2,1-4H3
InChIKeyDDYZSNOGRICJLF-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[1-(3-chlorophenyl)ethyl]-1-N-ethyl-4-N-methylpentane-1,4-diamine
CID 62984747
4-N-[1-(4-chlorophenyl)ethyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62985786
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62984047
N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine
CID 62985407
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83039474
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
N-[1-(3-chlorophenyl)ethyl]-3,3-diethoxy-N-methylpropan-1-amine
CID 63630291
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492270
2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62984553
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine?
The IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine (CID 55142410) is 4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine is CNCCCC(C)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine?
The InChIKey is DDYZSNOGRICJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-12(7-6-10-17-3)18(4)13(2)14-8-5-9-15(16)11-14/h5,8-9,11-13,17H,6-7,10H2,1-4H3.
What are the key properties of 4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine?
4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine is sourced from PubChem (CID 55142410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).