N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine

C21H26Cl2N2 — CID 10270921

IUPACN-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine
SMILESCN1CCCC1CCN(Cc1ccccc1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C21H26Cl2N2/c1-24-13-6-9-18(24)12-14-25(15-17-7-3-2-4-8-17)16-19-20(22)10-5-11-21(19)23/h2-5,7-8,10-11,18H,6,9,12-16H2,1H3
InChIKeyBWLGYVAMLMTXBH-UHFFFAOYSA-N
MW377.36 g/mol
LogP5.48
Rot. Bonds7

About N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine

N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine (PubChem CID 10270921) has the molecular formula C21H26Cl2N2 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine
PubChem CID10270921
Molecular FormulaC21H26Cl2N2
Molecular Weight377.36 g/mol
Exact Mass376.15
IUPAC NameN-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine
SMILESCN1CCCC1CCN(Cc1ccccc1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C21H26Cl2N2/c1-24-13-6-9-18(24)12-14-25(15-17-7-3-2-4-8-17)16-19-20(22)10-5-11-21(19)23/h2-5,7-8,10-11,18H,6,9,12-16H2,1H3
InChIKeyBWLGYVAMLMTXBH-UHFFFAOYSA-N
XLogP5.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.36
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 68668977
3-[[(4-tert-butylphenyl)methyl-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]amino]methyl]phenol
CID 10177825
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine
CID 24988040
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654308
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-benzyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 112721976
N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 102569971
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 78823684
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine;ethane
CID 143170220

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine?
The IUPAC name of N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine (CID 10270921) is N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine.
What is the SMILES notation for N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine?
The canonical SMILES for N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine is CN1CCCC1CCN(Cc1ccccc1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine?
The InChIKey is BWLGYVAMLMTXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2/c1-24-13-6-9-18(24)12-14-25(15-17-7-3-2-4-8-17)16-19-20(22)10-5-11-21(19)23/h2-5,7-8,10-11,18H,6,9,12-16H2,1H3.
What are the key properties of N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine?
N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine has a molecular weight of 377.36 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine is sourced from PubChem (CID 10270921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).