N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine

C18H23FN2 — CID 63487332

IUPACN'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCc1cc(C)cc(CN(CCCN)c2cccc(F)c2)c1
InChIInChI=1S/C18H23FN2/c1-14-9-15(2)11-16(10-14)13-21(8-4-7-20)18-6-3-5-17(19)12-18/h3,5-6,9-12H,4,7-8,13,20H2,1-2H3
InChIKeyYENADMGLZRVEFU-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.80
Rot. Bonds6

About N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine

N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 63487332) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
PubChem CID63487332
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCc1cc(C)cc(CN(CCCN)c2cccc(F)c2)c1
InChIInChI=1S/C18H23FN2/c1-14-9-15(2)11-16(10-14)13-21(8-4-7-20)18-6-3-5-17(19)12-18/h3,5-6,9-12H,4,7-8,13,20H2,1-2H3
InChIKeyYENADMGLZRVEFU-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 104530933
N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 61029753
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 43319044
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865395
4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
CID 79361728
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine
CID 28770757
N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698006
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N'-(3-fluorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]propane-1,3-diamine
CID 103000063
N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771525

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine (CID 63487332) is N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine is Cc1cc(C)cc(CN(CCCN)c2cccc(F)c2)c1.
What is the InChIKey of N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is YENADMGLZRVEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-14-9-15(2)11-16(10-14)13-21(8-4-7-20)18-6-3-5-17(19)12-18/h3,5-6,9-12H,4,7-8,13,20H2,1-2H3.
What are the key properties of N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 63487332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).