N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine

C14H19Cl2N — CID 64663727

IUPACN-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine
SMILESCC(CCc1c(Cl)cccc1Cl)CNC1CC1
InChIInChI=1S/C14H19Cl2N/c1-10(9-17-11-6-7-11)5-8-12-13(15)3-2-4-14(12)16/h2-4,10-11,17H,5-9H2,1H3
InChIKeyYPHXFRQNKHHELE-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.31
Rot. Bonds6

About N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine

N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine (PubChem CID 64663727) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine
PubChem CID64663727
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine
SMILESCC(CCc1c(Cl)cccc1Cl)CNC1CC1
InChIInChI=1S/C14H19Cl2N/c1-10(9-17-11-6-7-11)5-8-12-13(15)3-2-4-14(12)16/h2-4,10-11,17H,5-9H2,1H3
InChIKeyYPHXFRQNKHHELE-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine
CID 64664799
N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine
CID 64663737
N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
CID 102620479
N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 64663740
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
N-[2-[(2-chloro-6-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528339
N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine
CID 81015081
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 112654135
N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine
CID 79228974

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine (CID 64663727) is N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine is CC(CCc1c(Cl)cccc1Cl)CNC1CC1.
What is the InChIKey of N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine?
The InChIKey is YPHXFRQNKHHELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10(9-17-11-6-7-11)5-8-12-13(15)3-2-4-14(12)16/h2-4,10-11,17H,5-9H2,1H3.
What are the key properties of N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine?
N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine has a molecular weight of 272.22 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 64663727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).