N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine

C21H37FN2 — CID 10088401

IUPACN'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
SMILESCCCCCCCCCCCCNCCC(N)c1ccc(F)cc1
InChIInChI=1S/C21H37FN2/c1-2-3-4-5-6-7-8-9-10-11-17-24-18-16-21(23)19-12-14-20(22)15-13-19/h12-15,21,24H,2-11,16-18,23H2,1H3
InChIKeyOWSAIHRGWNBBNQ-UHFFFAOYSA-N
MW336.54 g/mol
LogP5.73
Rot. Bonds15

About N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine

N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine (PubChem CID 10088401) has the molecular formula C21H37FN2 and a molecular weight of 336.54 g/mol. Its IUPAC name is N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
PubChem CID10088401
Molecular FormulaC21H37FN2
Molecular Weight336.54 g/mol
Exact Mass336.29
IUPAC NameN'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
SMILESCCCCCCCCCCCCNCCC(N)c1ccc(F)cc1
InChIInChI=1S/C21H37FN2/c1-2-3-4-5-6-7-8-9-10-11-17-24-18-16-21(23)19-12-14-20(22)15-13-19/h12-15,21,24H,2-11,16-18,23H2,1H3
InChIKeyOWSAIHRGWNBBNQ-UHFFFAOYSA-N
XLogP5.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N'-hexadecylpropane-1,3-diamine;dihydrochloride
CID 19996168
1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
CID 19892143
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-(4-fluorophenyl)-N'-(4-octylphenyl)propane-1,3-diamine
CID 15181347
1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
4-decylsulfanyl-1-(4-fluorophenyl)butan-1-amine;hydrochloride
CID 19996202
N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride
CID 19996189
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine
CID 107815640
1-(4-fluorophenyl)undecylhydrazine
CID 105192861
N-(3,3-diphenylpropyl)octadecan-1-amine
CID 57060547

Frequently Asked Questions

What is the IUPAC name of N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine (CID 10088401) is N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine is CCCCCCCCCCCCNCCC(N)c1ccc(F)cc1.
What is the InChIKey of N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine?
The InChIKey is OWSAIHRGWNBBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37FN2/c1-2-3-4-5-6-7-8-9-10-11-17-24-18-16-21(23)19-12-14-20(22)15-13-19/h12-15,21,24H,2-11,16-18,23H2,1H3.
What are the key properties of N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine?
N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine has a molecular weight of 336.54 g/mol, XLogP of 5.73, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 10088401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).