N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine

C14H19Cl2N — CID 62595847

IUPACN-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N/c1-13(2,3)17-9-14(7-8-14)12-10(15)5-4-6-11(12)16/h4-6,17H,7-9H2,1-3H3
InChIKeyGLEOTUMICCVJSZ-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.41
Rot. Bonds3

About N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine

N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 62595847) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID62595847
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N/c1-13(2,3)17-9-14(7-8-14)12-10(15)5-4-6-11(12)16/h4-6,17H,7-9H2,1-3H3
InChIKeyGLEOTUMICCVJSZ-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-N-methylethanamine
CID 12351385
cis-(1S,2R)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118730203
(1S,2S,3R)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-phenylcyclopropan-1-amine
CID 145979575
1-(2-Chlorophenyl)-N-methylpropan-2-amine
CID 107261
Desmethylsibutramine hydrochloride
CID 13083195
Picilorex
CID 191657
Benzenemethanamine, 2,6-dichloro-N-propyl-
CID 457601
Benzenemethanamine, 2,6-dichloro-N-ethyl-
CID 485434
1-(2-Chlorophenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride
CID 12719847
2,6-Dichloro-alpha-methylbenzeneethanamine
CID 18070286
1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine
CID 68673059
3-(4-Chlorophenyl)-N-propylbutan-2-amine
CID 209672

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine (CID 62595847) is N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GLEOTUMICCVJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-13(2,3)17-9-14(7-8-14)12-10(15)5-4-6-11(12)16/h4-6,17H,7-9H2,1-3H3.
What are the key properties of N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 272.22 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62595847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).