1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine

C18H31FN2 — CID 63484521

IUPAC1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
SMILESCCCCCN(C)CCC(NCCC)c1ccc(F)cc1
InChIInChI=1S/C18H31FN2/c1-4-6-7-14-21(3)15-12-18(20-13-5-2)16-8-10-17(19)11-9-16/h8-11,18,20H,4-7,12-15H2,1-3H3
InChIKeyBDJSLEVMACJCMP-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.38
Rot. Bonds11

About 1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine

1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine (PubChem CID 63484521) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
PubChem CID63484521
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
SMILESCCCCCN(C)CCC(NCCC)c1ccc(F)cc1
InChIInChI=1S/C18H31FN2/c1-4-6-7-14-21(3)15-12-18(20-13-5-2)16-8-10-17(19)11-9-16/h8-11,18,20H,4-7,12-15H2,1-3H3
InChIKeyBDJSLEVMACJCMP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 81074409
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008
1-(4-bromophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62617256
2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide
CID 106335021
1-(4-bromophenyl)-N'-methyl-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987438
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine (CID 63484521) is 1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine is CCCCCN(C)CCC(NCCC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine?
The InChIKey is BDJSLEVMACJCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-4-6-7-14-21(3)15-12-18(20-13-5-2)16-8-10-17(19)11-9-16/h8-11,18,20H,4-7,12-15H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine?
1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-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 1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 63484521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).