1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine

C14H21FN2S — CID 55099061

IUPAC1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine
SMILESCN(CCC(N)c1cccc(F)c1)C1CCSC1
InChIInChI=1S/C14H21FN2S/c1-17(13-6-8-18-10-13)7-5-14(16)11-3-2-4-12(15)9-11/h2-4,9,13-14H,5-8,10,16H2,1H3
InChIKeyDDOTWBTZFRRNIA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.65
Rot. Bonds5

About 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine

1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine (PubChem CID 55099061) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine
PubChem CID55099061
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine
SMILESCN(CCC(N)c1cccc(F)c1)C1CCSC1
InChIInChI=1S/C14H21FN2S/c1-17(13-6-8-18-10-13)7-5-14(16)11-3-2-4-12(15)9-11/h2-4,9,13-14H,5-8,10,16H2,1H3
InChIKeyDDOTWBTZFRRNIA-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699655
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 55259017
1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62643255
N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine
CID 62643649
1-(3-fluorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62643348
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 79310287
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine (CID 55099061) is 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine is CN(CCC(N)c1cccc(F)c1)C1CCSC1.
What is the InChIKey of 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The InChIKey is DDOTWBTZFRRNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-17(13-6-8-18-10-13)7-5-14(16)11-3-2-4-12(15)9-11/h2-4,9,13-14H,5-8,10,16H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine?
1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 55099061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).