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

C17H21FN2O — CID 28770717

IUPACN'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
SMILESCOc1cccc(CN(CCCN)c2cccc(F)c2)c1
InChIInChI=1S/C17H21FN2O/c1-21-17-8-2-5-14(11-17)13-20(10-4-9-19)16-7-3-6-15(18)12-16/h2-3,5-8,11-12H,4,9-10,13,19H2,1H3
InChIKeyPSIUATRFTBTLGB-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.19
Rot. Bonds7

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

N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine (PubChem CID 28770717) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
PubChem CID28770717
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
SMILESCOc1cccc(CN(CCCN)c2cccc(F)c2)c1
InChIInChI=1S/C17H21FN2O/c1-21-17-8-2-5-14(11-17)13-20(10-4-9-19)16-7-3-6-15(18)12-16/h2-3,5-8,11-12H,4,9-10,13,19H2,1H3
InChIKeyPSIUATRFTBTLGB-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 104530933
N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63487332
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262673
3-[N-[(3-fluorophenyl)methyl]-3-methoxyanilino]propanoic acid
CID 82320063
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 43319044
N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771525
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865395
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine (CID 28770717) is N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine is COc1cccc(CN(CCCN)c2cccc(F)c2)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
The InChIKey is PSIUATRFTBTLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-21-17-8-2-5-14(11-17)13-20(10-4-9-19)16-7-3-6-15(18)12-16/h2-3,5-8,11-12H,4,9-10,13,19H2,1H3.
What are the key properties of N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 28770717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).