1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine

C16H25FN2S — CID 62643928

IUPAC1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNC(CCN1CCSCC1)c1cccc(F)c1
InChIInChI=1S/C16H25FN2S/c1-2-7-18-16(14-4-3-5-15(17)13-14)6-8-19-9-11-20-12-10-19/h3-5,13,16,18H,2,6-12H2,1H3
InChIKeyBRNRRAQOQPJBLK-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.31
Rot. Bonds7

About 1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine

1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62643928) has the molecular formula C16H25FN2S and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID62643928
Molecular FormulaC16H25FN2S
Molecular Weight296.45 g/mol
Exact Mass296.17
IUPAC Name1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNC(CCN1CCSCC1)c1cccc(F)c1
InChIInChI=1S/C16H25FN2S/c1-2-7-18-16(14-4-3-5-15(17)13-14)6-8-19-9-11-20-12-10-19/h3-5,13,16,18H,2,6-12H2,1H3
InChIKeyBRNRRAQOQPJBLK-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
1-Benzyl-N-(2-cyclopentylidene-2-fluoroethyl)-4-piperidinamine
CID 23646086
1-Benzyl-N-(2-cyclohexylidene-2-fluoroethyl)-4-piperidinamine
CID 23646098
N-(3-fluorobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 782100
1-benzyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 784043
1-benzyl-N-[1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 5122868
4-[2-[(1-(Phenyl)ethyl)amino]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
CID 10664892
1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 142590699

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine (CID 62643928) is 1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine is CCCNC(CCN1CCSCC1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is BRNRRAQOQPJBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2S/c1-2-7-18-16(14-4-3-5-15(17)13-14)6-8-19-9-11-20-12-10-19/h3-5,13,16,18H,2,6-12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 296.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-propyl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62643928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).