N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine

C13H21FN2O — CID 43154838

IUPACN'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-3-16(8-4-7-15)10-11-5-6-13(17-2)12(14)9-11/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyJDFWTGIMIBUZNW-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.01
Rot. Bonds7

About N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine

N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine (PubChem CID 43154838) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
PubChem CID43154838
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-3-16(8-4-7-15)10-11-5-6-13(17-2)12(14)9-11/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyJDFWTGIMIBUZNW-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43458882
3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanimidamide
CID 54993080
N-(2-bromoethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 80672187
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine
CID 62155475
N',N'-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43235528
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
CID 60688736
2-N,2-diethyl-2-N-[(3-fluoro-4-methoxyphenyl)methyl]butane-1,2-diamine
CID 62008398
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910346
N'-[(3-bromo-4-methoxyphenyl)methyl]-N'-[(4-chlorophenyl)methyl]propane-1,3-diamine
CID 23995882

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine (CID 43154838) is N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine is CCN(CCCN)Cc1ccc(OC)c(F)c1.
What is the InChIKey of N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine?
The InChIKey is JDFWTGIMIBUZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-16(8-4-7-15)10-11-5-6-13(17-2)12(14)9-11/h5-6,9H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine?
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 43154838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).