N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine

C19H22FN — CID 63424453

IUPACN-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(-c2ccc(CNC3CC3)c(F)c2)cc1
InChIInChI=1S/C19H22FN/c1-13(2)14-3-5-15(6-4-14)16-7-8-17(19(20)11-16)12-21-18-9-10-18/h3-8,11,13,18,21H,9-10,12H2,1-2H3
InChIKeyDFAJUAWBCNEMQG-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.87
Rot. Bonds5

About N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine

N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 63424453) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine
PubChem CID63424453
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(-c2ccc(CNC3CC3)c(F)c2)cc1
InChIInChI=1S/C19H22FN/c1-13(2)14-3-5-15(6-4-14)16-7-8-17(19(20)11-16)12-21-18-9-10-18/h3-8,11,13,18,21H,9-10,12H2,1-2H3
InChIKeyDFAJUAWBCNEMQG-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61033402
N-[[4-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63428334
N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 62964766
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
CID 54911922
N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63990447
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine (CID 63424453) is N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine is CC(C)c1ccc(-c2ccc(CNC3CC3)c(F)c2)cc1.
What is the InChIKey of N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is DFAJUAWBCNEMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-13(2)14-3-5-15(6-4-14)16-7-8-17(19(20)11-16)12-21-18-9-10-18/h3-8,11,13,18,21H,9-10,12H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine?
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 283.39 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63424453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).