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

C19H28FN — CID 114350178

IUPACN-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1CC1CC(C)CCC1CNC1CC1
InChIInChI=1S/C19H28FN/c1-13-3-4-16(12-21-19-7-8-19)17(9-13)11-15-5-6-18(20)10-14(15)2/h5-6,10,13,16-17,19,21H,3-4,7-9,11-12H2,1-2H3
InChIKeyXLHFRVSZADWISP-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.48
Rot. Bonds5

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

N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 114350178) has the molecular formula C19H28FN and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID114350178
Molecular FormulaC19H28FN
Molecular Weight289.44 g/mol
Exact Mass289.22
IUPAC NameN-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1CC1CC(C)CCC1CNC1CC1
InChIInChI=1S/C19H28FN/c1-13-3-4-16(12-21-19-7-8-19)17(9-13)11-15-5-6-18(20)10-14(15)2/h5-6,10,13,16-17,19,21H,3-4,7-9,11-12H2,1-2H3
InChIKeyXLHFRVSZADWISP-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 114346488
N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101
N-[[2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 105376317
N-[[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031760
3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 114349423
1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
CID 114349477
N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031376
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334
1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350364
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 114350172
2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-one
CID 114346454

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine (CID 114350178) is N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine is Cc1cc(F)ccc1CC1CC(C)CCC1CNC1CC1.
What is the InChIKey of N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is XLHFRVSZADWISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN/c1-13-3-4-16(12-21-19-7-8-19)17(9-13)11-15-5-6-18(20)10-14(15)2/h5-6,10,13,16-17,19,21H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 289.44 g/mol, XLogP of 4.48, 5 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)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 114350178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).