N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

C19H30FN — CID 81032659

IUPACN-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(F)ccc1C1CC(C)CCC1CNC(C)(C)C
InChIInChI=1S/C19H30FN/c1-13-6-7-15(12-21-19(3,4)5)18(10-13)17-9-8-16(20)11-14(17)2/h8-9,11,13,15,18,21H,6-7,10,12H2,1-5H3
InChIKeyDQAWVGDADRPVAX-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.04
Rot. Bonds3

About N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81032659) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81032659
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(F)ccc1C1CC(C)CCC1CNC(C)(C)C
InChIInChI=1S/C19H30FN/c1-13-6-7-15(12-21-19(3,4)5)18(10-13)17-9-8-16(20)11-14(17)2/h8-9,11,13,15,18,21H,6-7,10,12H2,1-5H3
InChIKeyDQAWVGDADRPVAX-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81032659) is N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is Cc1cc(F)ccc1C1CC(C)CCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DQAWVGDADRPVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-13-6-7-15(12-21-19(3,4)5)18(10-13)17-9-8-16(20)11-14(17)2/h8-9,11,13,15,18,21H,6-7,10,12H2,1-5H3.
What are the key properties of N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.45 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81032659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).