1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C14H23FN2 — CID 62643255

IUPAC1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(C)CCC(N)c1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-11(2)10-17(3)8-7-14(16)12-5-4-6-13(15)9-12/h4-6,9,11,14H,7-8,10,16H2,1-3H3
InChIKeyBRQFHUOCCHBMDG-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.80
Rot. Bonds6

About 1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine

1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62643255) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62643255
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(C)CCC(N)c1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-11(2)10-17(3)8-7-14(16)12-5-4-6-13(15)9-12/h4-6,9,11,14H,7-8,10,16H2,1-3H3
InChIKeyBRQFHUOCCHBMDG-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699655
1-(3-fluorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62643348
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 55259017
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 63837877
1-(3-fluorophenyl)-4-methoxypentan-1-amine
CID 105092989
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62643255) is 1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CN(C)CCC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is BRQFHUOCCHBMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(2)10-17(3)8-7-14(16)12-5-4-6-13(15)9-12/h4-6,9,11,14H,7-8,10,16H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62643255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).