4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline

C16H25ClN2 — CID 79319977

IUPAC4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline
SMILESCCN1CCCC1CN(C)c1ccc(CCl)cc1C
InChIInChI=1S/C16H25ClN2/c1-4-19-9-5-6-15(19)12-18(3)16-8-7-14(11-17)10-13(16)2/h7-8,10,15H,4-6,9,11-12H2,1-3H3
InChIKeyGNPNUEOCCWWZGK-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.65
Rot. Bonds5

About 4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline

4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline (PubChem CID 79319977) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline
PubChem CID79319977
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline
SMILESCCN1CCCC1CN(C)c1ccc(CCl)cc1C
InChIInChI=1S/C16H25ClN2/c1-4-19-9-5-6-15(19)12-18(3)16-8-7-14(11-17)10-13(16)2/h7-8,10,15H,4-6,9,11-12H2,1-3H3
InChIKeyGNPNUEOCCWWZGK-UHFFFAOYSA-N
XLogP3.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylaniline
CID 79318756
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283
4-(chloromethyl)-N-ethyl-N,2-dimethylaniline
CID 62123149
2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79304544
1-[5-bromo-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanone
CID 82966904
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
2-(2-aminoethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 114861930
N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319732
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309720
1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone
CID 104651800
1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 115994648
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzonitrile
CID 79314436

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline?
The IUPAC name of 4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline (CID 79319977) is 4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline.
What is the SMILES notation for 4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline?
The canonical SMILES for 4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline is CCN1CCCC1CN(C)c1ccc(CCl)cc1C.
What is the InChIKey of 4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline?
The InChIKey is GNPNUEOCCWWZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-19-9-5-6-15(19)12-18(3)16-8-7-14(11-17)10-13(16)2/h7-8,10,15H,4-6,9,11-12H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline?
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline has a molecular weight of 280.84 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline is sourced from PubChem (CID 79319977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).