1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine

C17H29FN2 — CID 43178400

IUPAC1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)c1ccc(F)cc1
InChIInChI=1S/C17H29FN2/c1-5-20(6-2)13-7-8-14(3)19-15(4)16-9-11-17(18)12-10-16/h9-12,14-15,19H,5-8,13H2,1-4H3
InChIKeyAVUMFQULPMHBDU-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.99
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine (PubChem CID 43178400) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
PubChem CID43178400
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)c1ccc(F)cc1
InChIInChI=1S/C17H29FN2/c1-5-20(6-2)13-7-8-14(3)19-15(4)16-9-11-17(18)12-10-16/h9-12,14-15,19H,5-8,13H2,1-4H3
InChIKeyAVUMFQULPMHBDU-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 43193479
N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine
CID 115664214
1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
CID 43193468
3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile
CID 62780546
4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol
CID 43193475
N-(1-phenylethyl)hexan-2-amine
CID 43755937
4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 102867785
2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 59640538
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine
CID 63478291
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 134149762

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine (CID 43178400) is 1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NC(C)c1ccc(F)cc1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine?
The InChIKey is AVUMFQULPMHBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-20(6-2)13-7-8-14(3)19-15(4)16-9-11-17(18)12-10-16/h9-12,14-15,19H,5-8,13H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.99, 9 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-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine is sourced from PubChem (CID 43178400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).