2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine

C16H27FN2 — CID 82945108

IUPAC2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCCCC(NC(C)CN(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-5-6-7-16(18-13(2)12-19(3)4)14-8-10-15(17)11-9-14/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyGHWQSXATNAERGV-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.60
Rot. Bonds8

About 2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82945108) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82945108
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCCCC(NC(C)CN(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-5-6-7-16(18-13(2)12-19(3)4)14-8-10-15(17)11-9-14/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyGHWQSXATNAERGV-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine
CID 63478291
N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
CID 43100534
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43111700
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine
CID 106226041
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine
CID 106281715
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
1-(4-fluorophenyl)undecylhydrazine
CID 105192861
2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide
CID 106335021

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82945108) is 2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine is CCCCC(NC(C)CN(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is GHWQSXATNAERGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-6-7-16(18-13(2)12-19(3)4)14-8-10-15(17)11-9-14/h8-11,13,16,18H,5-7,12H2,1-4H3.
What are the key properties of 2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82945108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).