N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine

C19H30FN — CID 104988970

IUPACN-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1F)C1CC(C)CC(C)C1
InChIInChI=1S/C19H30FN/c1-5-9-21-19(16-11-13(2)10-14(3)12-16)17-8-6-7-15(4)18(17)20/h6-8,13-14,16,19,21H,5,9-12H2,1-4H3
InChIKeyWAUAJUCPYIEYII-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.25
Rot. Bonds5

About N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine

N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine (PubChem CID 104988970) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
PubChem CID104988970
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1F)C1CC(C)CC(C)C1
InChIInChI=1S/C19H30FN/c1-5-9-21-19(16-11-13(2)10-14(3)12-16)17-8-6-7-15(4)18(17)20/h6-8,13-14,16,19,21H,5,9-12H2,1-4H3
InChIKeyWAUAJUCPYIEYII-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989068
N-[(5-bromo-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104988636
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 64715701
N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 104988757
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[(3-bromo-4-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989016
N-[(3-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106648226
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000986
N-[(3,5-dimethylcyclohexyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 104988770

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine (CID 104988970) is N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(C)c1F)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is WAUAJUCPYIEYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-5-9-21-19(16-11-13(2)10-14(3)12-16)17-8-6-7-15(4)18(17)20/h6-8,13-14,16,19,21H,5,9-12H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 104988970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).