1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine

C17H28ClFN2 — CID 102857727

IUPAC1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
SMILESCCN(CC)C(CC)(CC)C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C17H28ClFN2/c1-5-17(6-2,21(7-3)8-4)15(20)12-13-10-9-11-14(18)16(13)19/h9-11,15H,5-8,12,20H2,1-4H3
InChIKeyOOFMYKWTECHGGH-UHFFFAOYSA-N
MW314.88 g/mol
LogP4.25
Rot. Bonds8

About 1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine

1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine (PubChem CID 102857727) has the molecular formula C17H28ClFN2 and a molecular weight of 314.88 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
PubChem CID102857727
Molecular FormulaC17H28ClFN2
Molecular Weight314.88 g/mol
Exact Mass314.19
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
SMILESCCN(CC)C(CC)(CC)C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C17H28ClFN2/c1-5-17(6-2,21(7-3)8-4)15(20)12-13-10-9-11-14(18)16(13)19/h9-11,15H,5-8,12,20H2,1-4H3
InChIKeyOOFMYKWTECHGGH-UHFFFAOYSA-N
XLogP4.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 102867916
1-(2-chloro-4-methylphenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 106868427
1-(3-chloro-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 102857722
1-(2-chlorophenyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068977
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 102857723
1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79061666
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 102857603
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine (CID 102857727) is 1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine is CCN(CC)C(CC)(CC)C(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine?
The InChIKey is OOFMYKWTECHGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClFN2/c1-5-17(6-2,21(7-3)8-4)15(20)12-13-10-9-11-14(18)16(13)19/h9-11,15H,5-8,12,20H2,1-4H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine?
1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine has a molecular weight of 314.88 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine is sourced from PubChem (CID 102857727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).