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

C16H17F3N2 — CID 104530933

IUPACN'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESNCCCN(Cc1cc(F)cc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H17F3N2/c17-13-3-1-4-16(10-13)21(6-2-5-20)11-12-7-14(18)9-15(19)8-12/h1,3-4,7-10H,2,5-6,11,20H2
InChIKeyDTGVEIMZGUKDJD-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.46
Rot. Bonds6

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

N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 104530933) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
PubChem CID104530933
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESNCCCN(Cc1cc(F)cc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H17F3N2/c17-13-3-1-4-16(10-13)21(6-2-5-20)11-12-7-14(18)9-15(19)8-12/h1,3-4,7-10H,2,5-6,11,20H2
InChIKeyDTGVEIMZGUKDJD-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63487332
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'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771525
N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 61029753
N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine
CID 28770757
N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine
CID 61492057
N'-(3-fluorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]propane-1,3-diamine
CID 103000063
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine (CID 104530933) is N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine is NCCCN(Cc1cc(F)cc(F)c1)c1cccc(F)c1.
What is the InChIKey of N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is DTGVEIMZGUKDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c17-13-3-1-4-16(10-13)21(6-2-5-20)11-12-7-14(18)9-15(19)8-12/h1,3-4,7-10H,2,5-6,11,20H2.
What are the key properties of N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 294.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 104530933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).