1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine

C17H28F2N2 — CID 105406535

IUPAC1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCNC(Cc1cc(F)cc(F)c1)C(CC)(CC)N(C)C
InChIInChI=1S/C17H28F2N2/c1-6-17(7-2,21(4)5)16(20-8-3)11-13-9-14(18)12-15(19)10-13/h9-10,12,16,20H,6-8,11H2,1-5H3
InChIKeyZUPGFVUJYRUAAX-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.61
Rot. Bonds8

About 1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine

1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine (PubChem CID 105406535) has the molecular formula C17H28F2N2 and a molecular weight of 298.42 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
PubChem CID105406535
Molecular FormulaC17H28F2N2
Molecular Weight298.42 g/mol
Exact Mass298.22
IUPAC Name1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCNC(Cc1cc(F)cc(F)c1)C(CC)(CC)N(C)C
InChIInChI=1S/C17H28F2N2/c1-6-17(7-2,21(4)5)16(20-8-3)11-13-9-14(18)12-15(19)10-13/h9-10,12,16,20H,6-8,11H2,1-5H3
InChIKeyZUPGFVUJYRUAAX-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine (CID 105406535) is 1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine is CCNC(Cc1cc(F)cc(F)c1)C(CC)(CC)N(C)C.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The InChIKey is ZUPGFVUJYRUAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2/c1-6-17(7-2,21(4)5)16(20-8-3)11-13-9-14(18)12-15(19)10-13/h9-10,12,16,20H,6-8,11H2,1-5H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine has a molecular weight of 298.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 105406535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).