2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine

C16H27FN2 — CID 63945546

IUPAC2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H27FN2/c1-4-6-10-16(5-2,13-18)19(3)12-14-8-7-9-15(17)11-14/h7-9,11H,4-6,10,12-13,18H2,1-3H3
InChIKeyJDCCEDDIIQKDAN-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.56
Rot. Bonds8

About 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine

2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine (PubChem CID 63945546) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine
PubChem CID63945546
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H27FN2/c1-4-6-10-16(5-2,13-18)19(3)12-14-8-7-9-15(17)11-14/h7-9,11H,4-6,10,12-13,18H2,1-3H3
InChIKeyJDCCEDDIIQKDAN-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine
CID 79008800
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 61413520
N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
CID 61420226
2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62010595
3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134180
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 60852438
1-[2-(bromomethyl)-2-ethylhexyl]-3-fluorobenzene
CID 66050230
N'-[(3-fluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667717

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine (CID 63945546) is 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine is CCCCC(CC)(CN)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine?
The InChIKey is JDCCEDDIIQKDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-6-10-16(5-2,13-18)19(3)12-14-8-7-9-15(17)11-14/h7-9,11H,4-6,10,12-13,18H2,1-3H3.
What are the key properties of 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine?
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine is sourced from PubChem (CID 63945546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).