2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine

C16H27FN2 — CID 61412776

IUPAC2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)N(C)Cc1ccccc1F
InChIInChI=1S/C16H27FN2/c1-13(2)9-10-16(3,12-18)19(4)11-14-7-5-6-8-15(14)17/h5-8,13H,9-12,18H2,1-4H3
InChIKeyJJDHNPHUGGUHKG-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.41
Rot. Bonds7

About 2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine

2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine (PubChem CID 61412776) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine
PubChem CID61412776
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)N(C)Cc1ccccc1F
InChIInChI=1S/C16H27FN2/c1-13(2)9-10-16(3,12-18)19(4)11-14-7-5-6-8-15(14)17/h5-8,13H,9-12,18H2,1-4H3
InChIKeyJJDHNPHUGGUHKG-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine
CID 63470423
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
CID 61412930
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 114831111
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
3-[(2-fluorophenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042443
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 43575716
N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 58597811
2-N-[(2-bromophenyl)methyl]-2-N,2-dimethylheptane-1,2-diamine
CID 80558338
1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098522
1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol
CID 84720909
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine (CID 61412776) is 2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine is CC(C)CCC(C)(CN)N(C)Cc1ccccc1F.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine?
The InChIKey is JJDHNPHUGGUHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-13(2)9-10-16(3,12-18)19(4)11-14-7-5-6-8-15(14)17/h5-8,13H,9-12,18H2,1-4H3.
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine?
2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine is sourced from PubChem (CID 61412776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).