N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine

C16H24FNO3S — CID 136520499

IUPACN-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine
SMILESCC(CNC1CCCCC1S(C)(=O)=O)Oc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3S/c1-12(21-14-9-7-13(17)8-10-14)11-18-15-5-3-4-6-16(15)22(2,19)20/h7-10,12,15-16,18H,3-6,11H2,1-2H3
InChIKeyJNILSUZQRDYLER-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine

N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine (PubChem CID 136520499) has the molecular formula C16H24FNO3S and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine
PubChem CID136520499
Molecular FormulaC16H24FNO3S
Molecular Weight329.44 g/mol
Exact Mass329.15
IUPAC NameN-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine
SMILESCC(CNC1CCCCC1S(C)(=O)=O)Oc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3S/c1-12(21-14-9-7-13(17)8-10-14)11-18-15-5-3-4-6-16(15)22(2,19)20/h7-10,12,15-16,18H,3-6,11H2,1-2H3
InChIKeyJNILSUZQRDYLER-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-2-methylsulfonylcyclohexan-1-amine
CID 129421906
1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea
CID 111508697
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
1-(4-methylphenyl)-2-[[(1R,2R)-2-methylsulfonylcyclohexyl]amino]ethanol
CID 167775469
N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045799
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 75471725
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
3-(4-fluorophenoxy)butane-1-sulfonic acid
CID 54260380
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine (CID 136520499) is N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine is CC(CNC1CCCCC1S(C)(=O)=O)Oc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine?
The InChIKey is JNILSUZQRDYLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3S/c1-12(21-14-9-7-13(17)8-10-14)11-18-15-5-3-4-6-16(15)22(2,19)20/h7-10,12,15-16,18H,3-6,11H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine?
N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 136520499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).