N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine

C17H26FNO — CID 115955018

IUPACN-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
SMILESCC1CCC(Oc2c(F)cccc2CNC(C)C)CC1
InChIInChI=1S/C17H26FNO/c1-12(2)19-11-14-5-4-6-16(18)17(14)20-15-9-7-13(3)8-10-15/h4-6,12-13,15,19H,7-11H2,1-3H3
InChIKeyADAHXQCBQHEKQQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.28
Rot. Bonds5

About N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine

N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine (PubChem CID 115955018) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
PubChem CID115955018
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
SMILESCC1CCC(Oc2c(F)cccc2CNC(C)C)CC1
InChIInChI=1S/C17H26FNO/c1-12(2)19-11-14-5-4-6-16(18)17(14)20-15-9-7-13(3)8-10-15/h4-6,12-13,15,19H,7-11H2,1-3H3
InChIKeyADAHXQCBQHEKQQ-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine 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-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986
1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 114058879
1-(bromomethyl)-3-fluoro-2-(3-methylcyclohexyl)oxybenzene
CID 112613992
N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64749252
2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]propanenitrile
CID 112610702
N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine
CID 112609785
N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
CID 115954063
N-[[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610674
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227
N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107134528
N-[[3-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115955092

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine (CID 115955018) is N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine is CC1CCC(Oc2c(F)cccc2CNC(C)C)CC1.
What is the InChIKey of N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is ADAHXQCBQHEKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12(2)19-11-14-5-4-6-16(18)17(14)20-15-9-7-13(3)8-10-15/h4-6,12-13,15,19H,7-11H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 115955018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).