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

C17H25Cl2N — CID 79679814

IUPACN-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2c(Cl)cccc2Cl)CCCC1C
InChIInChI=1S/C17H25Cl2N/c1-12(2)10-20-11-17(9-5-6-13(17)3)16-14(18)7-4-8-15(16)19/h4,7-8,12-13,20H,5-6,9-11H2,1-3H3
InChIKeyWVNLPTGDOUOLNH-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.30
Rot. Bonds5

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

N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 79679814) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID79679814
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC NameN-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2c(Cl)cccc2Cl)CCCC1C
InChIInChI=1S/C17H25Cl2N/c1-12(2)10-20-11-17(9-5-6-13(17)3)16-14(18)7-4-8-15(16)19/h4,7-8,12-13,20H,5-6,9-11H2,1-3H3
InChIKeyWVNLPTGDOUOLNH-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine
CID 79679172
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55091372
N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
CID 79678984
N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66429947
N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998212
N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
CID 66431979
N-[[1-(2-chloro-6-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65013581
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998152
N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55195361
N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679545
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine (CID 79679814) is N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(c2c(Cl)cccc2Cl)CCCC1C.
What is the InChIKey of N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WVNLPTGDOUOLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-12(2)10-20-11-17(9-5-6-13(17)3)16-14(18)7-4-8-15(16)19/h4,7-8,12-13,20H,5-6,9-11H2,1-3H3.
What are the key properties of N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.30, 5 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)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79679814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).