N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine

C19H30FN — CID 81034007

IUPACN-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(F)cc(C2CC(C)CCC2CNCC(C)C)c1
InChIInChI=1S/C19H30FN/c1-13(2)11-21-12-16-6-5-14(3)9-19(16)17-7-15(4)8-18(20)10-17/h7-8,10,13-14,16,19,21H,5-6,9,11-12H2,1-4H3
InChIKeyIJGDHWGZWHVXNJ-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.90
Rot. Bonds5

About N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81034007) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81034007
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(F)cc(C2CC(C)CCC2CNCC(C)C)c1
InChIInChI=1S/C19H30FN/c1-13(2)11-21-12-16-6-5-14(3)9-19(16)17-7-15(4)8-18(20)10-17/h7-8,10,13-14,16,19,21H,5-6,9,11-12H2,1-4H3
InChIKeyIJGDHWGZWHVXNJ-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81031516
N-[[2-(3-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81031468
N-[[2-(3,5-difluorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031514
N-[[2-(3,5-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028073
N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033331
N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032140
2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine
CID 81031315
N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714240
N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 81017647
N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 106882904
N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 106882895
N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024271

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine (CID 81034007) is N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine is Cc1cc(F)cc(C2CC(C)CCC2CNCC(C)C)c1.
What is the InChIKey of N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IJGDHWGZWHVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-13(2)11-21-12-16-6-5-14(3)9-19(16)17-7-15(4)8-18(20)10-17/h7-8,10,13-14,16,19,21H,5-6,9,11-12H2,1-4H3.
What are the key properties of N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 4.90, 5 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]-2-methylpropan-1-amine is sourced from PubChem (CID 81034007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).