N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine

C14H20FNOS — CID 113350066

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
SMILESCS(=O)CCCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H20FNOS/c1-18(17)10-2-9-16-14(11-3-4-11)12-5-7-13(15)8-6-12/h5-8,11,14,16H,2-4,9-10H2,1H3
InChIKeyHFOYVMQFGABZEL-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.63
Rot. Bonds7

About N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine

N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine (PubChem CID 113350066) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
PubChem CID113350066
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
SMILESCS(=O)CCCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H20FNOS/c1-18(17)10-2-9-16-14(11-3-4-11)12-5-7-13(15)8-6-12/h5-8,11,14,16H,2-4,9-10H2,1H3
InChIKeyHFOYVMQFGABZEL-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine
CID 115898470
N-[3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]methanesulfonamide
CID 103832837
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771413
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine
CID 115721013
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926634
N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570678

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine (CID 113350066) is N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine is CS(=O)CCCNC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine?
The InChIKey is HFOYVMQFGABZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-18(17)10-2-9-16-14(11-3-4-11)12-5-7-13(15)8-6-12/h5-8,11,14,16H,2-4,9-10H2,1H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine is sourced from PubChem (CID 113350066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).