1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine

C15H22FNO3S — CID 107686626

IUPAC1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC2CCCC(S(C)(=O)=O)C2)c(F)c1
InChIInChI=1S/C15H22FNO3S/c1-17-10-11-6-7-15(14(16)8-11)20-12-4-3-5-13(9-12)21(2,18)19/h6-8,12-13,17H,3-5,9-10H2,1-2H3
InChIKeyGJOPNBVXEDJZBT-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.28
Rot. Bonds5

About 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine

1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine (PubChem CID 107686626) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine
PubChem CID107686626
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC2CCCC(S(C)(=O)=O)C2)c(F)c1
InChIInChI=1S/C15H22FNO3S/c1-17-10-11-6-7-15(14(16)8-11)20-12-4-3-5-13(9-12)21(2,18)19/h6-8,12-13,17H,3-5,9-10H2,1-2H3
InChIKeyGJOPNBVXEDJZBT-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine 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-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
5-fluoro-2-(3-methylsulfonylcyclohexyl)oxybenzoic acid
CID 115297907
N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688391
2-fluoro-6-(3-methylsulfonylcyclohexyl)oxybenzoic acid
CID 107013979
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757
1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide
CID 106956107
(4-cycloheptyloxy-3-fluorophenyl)methanol
CID 107690655
1-bromo-3-fluoro-5-(3-methylsulfonylcyclohexyl)oxybenzene
CID 81332358
1-chloro-2-(chloromethyl)-3-(3-methylsulfonylcyclohexyl)oxybenzene
CID 114320751
N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine
CID 79003256

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine (CID 107686626) is 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine is CNCc1ccc(OC2CCCC(S(C)(=O)=O)C2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The InChIKey is GJOPNBVXEDJZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-17-10-11-6-7-15(14(16)8-11)20-12-4-3-5-13(9-12)21(2,18)19/h6-8,12-13,17H,3-5,9-10H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine?
1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine has a molecular weight of 315.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 107686626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).