N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine

C18H31FN2 — CID 63482175

IUPACN',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
SMILESCCCCN(CCCC)CCC(NC)c1cccc(F)c1
InChIInChI=1S/C18H31FN2/c1-4-6-12-21(13-7-5-2)14-11-18(20-3)16-9-8-10-17(19)15-16/h8-10,15,18,20H,4-7,11-14H2,1-3H3
InChIKeyONEGAVVKBMRZRU-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.38
Rot. Bonds11

About N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine

N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine (PubChem CID 63482175) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
PubChem CID63482175
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC NameN',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
SMILESCCCCN(CCCC)CCC(NC)c1cccc(F)c1
InChIInChI=1S/C18H31FN2/c1-4-6-12-21(13-7-5-2)14-11-18(20-3)16-9-8-10-17(19)15-16/h8-10,15,18,20H,4-7,11-14H2,1-3H3
InChIKeyONEGAVVKBMRZRU-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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

1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
1-(3-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493726
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol
CID 104554627
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63482896
2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643290
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79086657

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine (CID 63482175) is N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine is CCCCN(CCCC)CCC(NC)c1cccc(F)c1.
What is the InChIKey of N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine?
The InChIKey is ONEGAVVKBMRZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-4-6-12-21(13-7-5-2)14-11-18(20-3)16-9-8-10-17(19)15-16/h8-10,15,18,20H,4-7,11-14H2,1-3H3.
What are the key properties of N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine?
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 63482175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).