N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine

C15H21ClN2O2 — CID 89080550

IUPACN-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine
SMILESC=C(NC1CCCN1C)c1c(OC)ccc(Cl)c1OC
InChIInChI=1S/C15H21ClN2O2/c1-10(17-13-6-5-9-18(13)2)14-12(19-3)8-7-11(16)15(14)20-4/h7-8,13,17H,1,5-6,9H2,2-4H3
InChIKeyKXEVNUDBESXDBY-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.97
Rot. Bonds5

About N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine

N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine (PubChem CID 89080550) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine
PubChem CID89080550
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine
SMILESC=C(NC1CCCN1C)c1c(OC)ccc(Cl)c1OC
InChIInChI=1S/C15H21ClN2O2/c1-10(17-13-6-5-9-18(13)2)14-12(19-3)8-7-11(16)15(14)20-4/h7-8,13,17H,1,5-6,9H2,2-4H3
InChIKeyKXEVNUDBESXDBY-UHFFFAOYSA-N
XLogP2.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine?
The IUPAC name of N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine (CID 89080550) is N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine.
What is the SMILES notation for N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine?
The canonical SMILES for N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine is C=C(NC1CCCN1C)c1c(OC)ccc(Cl)c1OC.
What is the InChIKey of N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine?
The InChIKey is KXEVNUDBESXDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(17-13-6-5-9-18(13)2)14-12(19-3)8-7-11(16)15(14)20-4/h7-8,13,17H,1,5-6,9H2,2-4H3.
What are the key properties of N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine?
N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine has a molecular weight of 296.80 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine is sourced from PubChem (CID 89080550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).