N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine

C14H19ClFN — CID 102620479

IUPACN-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
SMILESCC(CCc1cc(F)ccc1Cl)CNC1CC1
InChIInChI=1S/C14H19ClFN/c1-10(9-17-13-5-6-13)2-3-11-8-12(16)4-7-14(11)15/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3
InChIKeyKNLDHOXBDMORSP-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.80
Rot. Bonds6

About N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine

N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine (PubChem CID 102620479) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
PubChem CID102620479
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
SMILESCC(CCc1cc(F)ccc1Cl)CNC1CC1
InChIInChI=1S/C14H19ClFN/c1-10(9-17-13-5-6-13)2-3-11-8-12(16)4-7-14(11)15/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3
InChIKeyKNLDHOXBDMORSP-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528488
1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
CID 105395959
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine
CID 64663727
3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine
CID 102616772
N-[(2-chloro-5-fluorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123298
N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 64663740
1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine
CID 105395903
4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665030
N-[(5-fluoro-2-propan-2-ylsulfanylphenyl)methyl]cyclopropanamine
CID 63807534
4-[(2-chloro-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 102616799
N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015086

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine (CID 102620479) is N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine is CC(CCc1cc(F)ccc1Cl)CNC1CC1.
What is the InChIKey of N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine?
The InChIKey is KNLDHOXBDMORSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10(9-17-13-5-6-13)2-3-11-8-12(16)4-7-14(11)15/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3.
What are the key properties of N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine?
N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine has a molecular weight of 255.76 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 102620479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).