1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine

C15H25FN2 — CID 62644481

IUPAC1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
SMILESCC(C)C(C)N(C)CCC(N)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-11(2)12(3)18(4)10-9-15(17)13-5-7-14(16)8-6-13/h5-8,11-12,15H,9-10,17H2,1-4H3
InChIKeyCSVXLIYWSLHLRS-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.19
Rot. Bonds6

About 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine

1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine (PubChem CID 62644481) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
PubChem CID62644481
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
SMILESCC(C)C(C)N(C)CCC(N)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-11(2)12(3)18(4)10-9-15(17)13-5-7-14(16)8-6-13/h5-8,11-12,15H,9-10,17H2,1-4H3
InChIKeyCSVXLIYWSLHLRS-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645408
5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol
CID 107204561
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114
1-(4-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62644970
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine (CID 62644481) is 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine is CC(C)C(C)N(C)CCC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
The InChIKey is CSVXLIYWSLHLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-11(2)12(3)18(4)10-9-15(17)13-5-7-14(16)8-6-13/h5-8,11-12,15H,9-10,17H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.19, 6 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'-(3-methylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 62644481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).