N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C16H24Cl2N2 — CID 104727346

IUPACN-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Cl)c(N2CCC(CNC(C)(C)C)C2)cc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-11-7-14(18)15(8-13(11)17)20-6-5-12(10-20)9-19-16(2,3)4/h7-8,12,19H,5-6,9-10H2,1-4H3
InChIKeyCJLPNCZRHUHRJP-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.52
Rot. Bonds3

About N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104727346) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID104727346
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC NameN-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Cl)c(N2CCC(CNC(C)(C)C)C2)cc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-11-7-14(18)15(8-13(11)17)20-6-5-12(10-20)9-19-16(2,3)4/h7-8,12,19H,5-6,9-10H2,1-4H3
InChIKeyCJLPNCZRHUHRJP-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511596
N-[[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512586
2-methyl-N-[[1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63327737
N-[[1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511727
1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine
CID 104727298
N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512249
2-methyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512720
[1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylcarbamic acid
CID 21105355
N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114254543
2-[1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]pyrrolidin-3-yl]ethanol
CID 114798673
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512560
2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 62513694

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 104727346) is N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is Cc1cc(Cl)c(N2CCC(CNC(C)(C)C)C2)cc1Cl.
What is the InChIKey of N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CJLPNCZRHUHRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-11-7-14(18)15(8-13(11)17)20-6-5-12(10-20)9-19-16(2,3)4/h7-8,12,19H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 315.29 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104727346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).