2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine

C14H20Cl2N2O — CID 54930466

IUPAC2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCCN1CCCC1
InChIInChI=1S/C14H20Cl2N2O/c15-12-9-11(3-4-17)14(13(16)10-12)19-8-7-18-5-1-2-6-18/h9-10H,1-8,17H2
InChIKeyJJXAKSNNXDIFSW-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.97
Rot. Bonds6

About 2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine

2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (PubChem CID 54930466) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
PubChem CID54930466
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCCN1CCCC1
InChIInChI=1S/C14H20Cl2N2O/c15-12-9-11(3-4-17)14(13(16)10-12)19-8-7-18-5-1-2-6-18/h9-10H,1-8,17H2
InChIKeyJJXAKSNNXDIFSW-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
CID 82267120
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
2-[3,5-dichloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182988
[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 55179828
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (CID 54930466) is 2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine is NCCc1cc(Cl)cc(Cl)c1OCCN1CCCC1.
What is the InChIKey of 2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The InChIKey is JJXAKSNNXDIFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c15-12-9-11(3-4-17)14(13(16)10-12)19-8-7-18-5-1-2-6-18/h9-10H,1-8,17H2.
What are the key properties of 2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine has a molecular weight of 303.23 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 54930466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).