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

C18H31FN2 — CID 63478291

IUPAC1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine
SMILESCCCCC(NC(C)CN(CC)CC)c1ccc(F)cc1
InChIInChI=1S/C18H31FN2/c1-5-8-9-18(16-10-12-17(19)13-11-16)20-15(4)14-21(6-2)7-3/h10-13,15,18,20H,5-9,14H2,1-4H3
InChIKeyQDMPBSXLKMAETJ-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.38
Rot. Bonds10

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

1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine (PubChem CID 63478291) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine
PubChem CID63478291
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine
SMILESCCCCC(NC(C)CN(CC)CC)c1ccc(F)cc1
InChIInChI=1S/C18H31FN2/c1-5-8-9-18(16-10-12-17(19)13-11-16)20-15(4)14-21(6-2)7-3/h10-13,15,18,20H,5-9,14H2,1-4H3
InChIKeyQDMPBSXLKMAETJ-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945108
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
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
1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
CID 43178400
1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43111700
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
1-(4-fluorophenyl)undecylhydrazine
CID 105192861

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine (CID 63478291) is 1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine is CCCCC(NC(C)CN(CC)CC)c1ccc(F)cc1.
What is the InChIKey of 1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine?
The InChIKey is QDMPBSXLKMAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-5-8-9-18(16-10-12-17(19)13-11-16)20-15(4)14-21(6-2)7-3/h10-13,15,18,20H,5-9,14H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine?
1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine is sourced from PubChem (CID 63478291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).