N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine

C16H24FN — CID 107886995

IUPACN-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine
SMILESCCCC(C)C(CNC1CC1)c1ccccc1F
InChIInChI=1S/C16H24FN/c1-3-6-12(2)15(11-18-13-9-10-13)14-7-4-5-8-16(14)17/h4-5,7-8,12-13,15,18H,3,6,9-11H2,1-2H3
InChIKeyBSNHJNVBORJONV-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.10
Rot. Bonds7

About N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine

N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine (PubChem CID 107886995) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine
PubChem CID107886995
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine
SMILESCCCC(C)C(CNC1CC1)c1ccccc1F
InChIInChI=1S/C16H24FN/c1-3-6-12(2)15(11-18-13-9-10-13)14-7-4-5-8-16(14)17/h4-5,7-8,12-13,15,18H,3,6,9-11H2,1-2H3
InChIKeyBSNHJNVBORJONV-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-fluorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169179
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 62985981
N-[2-cyclohexyl-2-(2-fluorophenyl)ethyl]cyclopropanamine
CID 82934224
N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine
CID 107887258
N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine
CID 79443669
1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
CID 65185567
N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine
CID 115943473
1-(4-bromoheptan-3-yl)-2-fluorobenzene
CID 112680311
1-(3-bromohexan-2-yl)-2-fluorobenzene
CID 83051782
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol
CID 111466397
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine?
The IUPAC name of N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine (CID 107886995) is N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine is CCCC(C)C(CNC1CC1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine?
The InChIKey is BSNHJNVBORJONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-6-12(2)15(11-18-13-9-10-13)14-7-4-5-8-16(14)17/h4-5,7-8,12-13,15,18H,3,6,9-11H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine?
N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine has a molecular weight of 249.37 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine is sourced from PubChem (CID 107886995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).