N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine

C18H28FN — CID 81031516

IUPACN-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCc1cc(F)cc(C2CC(C)CCC2CNC(C)C)c1
InChIInChI=1S/C18H28FN/c1-12(2)20-11-15-6-5-13(3)9-18(15)16-7-14(4)8-17(19)10-16/h7-8,10,12-13,15,18,20H,5-6,9,11H2,1-4H3
InChIKeyAVAVIMSEOWFXNF-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.65
Rot. Bonds4

About N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine

N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine (PubChem CID 81031516) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
PubChem CID81031516
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCc1cc(F)cc(C2CC(C)CCC2CNC(C)C)c1
InChIInChI=1S/C18H28FN/c1-12(2)20-11-15-6-5-13(3)9-18(15)16-7-14(4)8-17(19)10-16/h7-8,10,12-13,15,18,20H,5-6,9,11H2,1-4H3
InChIKeyAVAVIMSEOWFXNF-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034007
N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 81018163
N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
CID 81032270
N-[[2-(3,5-difluorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031514
N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 81017647
N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81034887
N-[[2-(3-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81031468
N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81018045
N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017316
N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032279
N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81034048
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81033640

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine (CID 81031516) is N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine is Cc1cc(F)cc(C2CC(C)CCC2CNC(C)C)c1.
What is the InChIKey of N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The InChIKey is AVAVIMSEOWFXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-12(2)20-11-15-6-5-13(3)9-18(15)16-7-14(4)8-17(19)10-16/h7-8,10,12-13,15,18,20H,5-6,9,11H2,1-4H3.
What are the key properties of N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine?
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine has a molecular weight of 277.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81031516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).