1-(4-fluorophenyl)-N-propylpropan-1-amine

C12H18FN — CID 43185194

IUPAC1-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-3-9-14-12(4-2)10-5-7-11(13)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyUAIGNRVOMHZCAK-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.28
Rot. Bonds5

About 1-(4-fluorophenyl)-N-propylpropan-1-amine

1-(4-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 43185194) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-propylpropan-1-amine
PubChem CID43185194
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-3-9-14-12(4-2)10-5-7-11(13)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyUAIGNRVOMHZCAK-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 65132971
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
CID 43096991
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
methyl 4-[1-(4-fluorophenyl)propylamino]butanoate
CID 54920511
N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66051528
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731798

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-propylpropan-1-amine (CID 43185194) is 1-(4-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-propylpropan-1-amine is CCCNC(CC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is UAIGNRVOMHZCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-3-9-14-12(4-2)10-5-7-11(13)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-propylpropan-1-amine?
1-(4-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 43185194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).