1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine

C15H25FN2 — CID 79087242

IUPAC1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine
SMILESCCN(CC)CCC(Cc1cccc(F)c1)NC
InChIInChI=1S/C15H25FN2/c1-4-18(5-2)10-9-15(17-3)12-13-7-6-8-14(16)11-13/h6-8,11,15,17H,4-5,9-10,12H2,1-3H3
InChIKeyOUCHIXSXMAMXEA-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.69
Rot. Bonds8

About 1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine

1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine (PubChem CID 79087242) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine
PubChem CID79087242
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine
SMILESCCN(CC)CCC(Cc1cccc(F)c1)NC
InChIInChI=1S/C15H25FN2/c1-4-18(5-2)10-9-15(17-3)12-13-7-6-8-14(16)11-13/h6-8,11,15,17H,4-5,9-10,12H2,1-3H3
InChIKeyOUCHIXSXMAMXEA-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-diethyl-3-N-methyl-4-(3-methylphenyl)butane-1,3-diamine
CID 79087525
4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine
CID 79709304
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 105406565
1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65476281
1-N,1-N-diethyl-2-N-[1-(3-fluorophenyl)propan-2-yl]propane-1,2-diamine
CID 115716941
N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 43566239
N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
CID 83161562
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048702
1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine (CID 79087242) is 1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine is CCN(CC)CCC(Cc1cccc(F)c1)NC.
What is the InChIKey of 1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is OUCHIXSXMAMXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-18(5-2)10-9-15(17-3)12-13-7-6-8-14(16)11-13/h6-8,11,15,17H,4-5,9-10,12H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine?
1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.69, 8 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-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 79087242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).