2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine

C16H27FN2 — CID 63945348

IUPAC2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(CC)c1ccccc1F
InChIInChI=1S/C16H27FN2/c1-4-7-12-16(5-2,13-18)19(6-3)15-11-9-8-10-14(15)17/h8-11H,4-7,12-13,18H2,1-3H3
InChIKeyPLAATINCCAZVNC-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.95
Rot. Bonds8

About 2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine

2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine (PubChem CID 63945348) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine
PubChem CID63945348
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(CC)c1ccccc1F
InChIInChI=1S/C16H27FN2/c1-4-7-12-16(5-2,13-18)19(6-3)15-11-9-8-10-14(15)17/h8-11H,4-7,12-13,18H2,1-3H3
InChIKeyPLAATINCCAZVNC-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine (CID 63945348) is 2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine is CCCCC(CC)(CN)N(CC)c1ccccc1F.
What is the InChIKey of 2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine?
The InChIKey is PLAATINCCAZVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-7-12-16(5-2,13-18)19(6-3)15-11-9-8-10-14(15)17/h8-11H,4-7,12-13,18H2,1-3H3.
What are the key properties of 2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine?
2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine is sourced from PubChem (CID 63945348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).