N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine

C13H21FN2O — CID 81106907

IUPACN'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)CCCF
InChIInChI=1S/C13H21FN2O/c1-17-13-7-3-2-6-12(13)16(10-4-8-14)11-5-9-15/h2-3,6-7H,4-5,8-11,15H2,1H3
InChIKeyHMABGRVGZGEQDC-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.21
Rot. Bonds8

About N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine

N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine (PubChem CID 81106907) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
PubChem CID81106907
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)CCCF
InChIInChI=1S/C13H21FN2O/c1-17-13-7-3-2-6-12(13)16(10-4-8-14)11-5-9-15/h2-3,6-7H,4-5,8-11,15H2,1H3
InChIKeyHMABGRVGZGEQDC-UHFFFAOYSA-N
XLogP2.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 61481368
4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol
CID 79359732
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
CID 59373144
N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 28770871
N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159037
N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262674
N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251851
N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
CID 54935456
N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide
CID 28767707
1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea
CID 79160382

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine (CID 81106907) is N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine is COc1ccccc1N(CCCN)CCCF.
What is the InChIKey of N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The InChIKey is HMABGRVGZGEQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-17-13-7-3-2-6-12(13)16(10-4-8-14)11-5-9-15/h2-3,6-7H,4-5,8-11,15H2,1H3.
What are the key properties of N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 81106907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).