2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine

C14H21ClN2 — CID 117384986

IUPAC2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(C2CCN(C)C2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-16-7-5-11-3-4-13(14(15)9-11)12-6-8-17(2)10-12/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyVDRJIXQIKLGYMM-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.52
Rot. Bonds4

About 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine

2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine (PubChem CID 117384986) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine
PubChem CID117384986
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(C2CCN(C)C2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-16-7-5-11-3-4-13(14(15)9-11)12-6-8-17(2)10-12/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyVDRJIXQIKLGYMM-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine
CID 117354255
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 117390228
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine
CID 117447151
O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117482086
3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
CID 67173873
2-chloro-1-cyclopropyl-4-ethylbenzene
CID 138612116
ethyl 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-hydroxyacetate
CID 117479380
N-methyl-2-[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine
CID 116821638
3-chloro-4-(1-methylpiperidin-4-yl)phenol
CID 84690225
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid
CID 130303023
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine (CID 117384986) is 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine is CNCCc1ccc(C2CCN(C)C2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine?
The InChIKey is VDRJIXQIKLGYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-16-7-5-11-3-4-13(14(15)9-11)12-6-8-17(2)10-12/h3-4,9,12,16H,5-8,10H2,1-2H3.
What are the key properties of 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine?
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine has a molecular weight of 252.79 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117384986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).