2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline

C14H21ClN2O — CID 63786686

IUPAC2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
SMILESCOCCN(c1cccc(Cl)c1CCN)C1CC1
InChIInChI=1S/C14H21ClN2O/c1-18-10-9-17(11-5-6-11)14-4-2-3-13(15)12(14)7-8-16/h2-4,11H,5-10,16H2,1H3
InChIKeyFSSGRFLEMPEREJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.46
Rot. Bonds7

About 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline

2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline (PubChem CID 63786686) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
PubChem CID63786686
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
SMILESCOCCN(c1cccc(Cl)c1CCN)C1CC1
InChIInChI=1S/C14H21ClN2O/c1-18-10-9-17(11-5-6-11)14-4-2-3-13(15)12(14)7-8-16/h2-4,11H,5-10,16H2,1H3
InChIKeyFSSGRFLEMPEREJ-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline (CID 63786686) is 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline is COCCN(c1cccc(Cl)c1CCN)C1CC1.
What is the InChIKey of 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline?
The InChIKey is FSSGRFLEMPEREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-18-10-9-17(11-5-6-11)14-4-2-3-13(15)12(14)7-8-16/h2-4,11H,5-10,16H2,1H3.
What are the key properties of 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline?
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline has a molecular weight of 268.79 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 63786686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).