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

C15H23ClN2 — CID 63786189

IUPAC2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1cccc(Cl)c1CCN)C1CC1
InChIInChI=1S/C15H23ClN2/c1-11(2)10-18(12-6-7-12)15-5-3-4-14(16)13(15)8-9-17/h3-5,11-12H,6-10,17H2,1-2H3
InChIKeyYKWJCHQOSYCLRA-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds6

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

2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline (PubChem CID 63786189) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline
PubChem CID63786189
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1cccc(Cl)c1CCN)C1CC1
InChIInChI=1S/C15H23ClN2/c1-11(2)10-18(12-6-7-12)15-5-3-4-14(16)13(15)8-9-17/h3-5,11-12H,6-10,17H2,1-2H3
InChIKeyYKWJCHQOSYCLRA-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline (CID 63786189) is 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline is CC(C)CN(c1cccc(Cl)c1CCN)C1CC1.
What is the InChIKey of 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline?
The InChIKey is YKWJCHQOSYCLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(2)10-18(12-6-7-12)15-5-3-4-14(16)13(15)8-9-17/h3-5,11-12H,6-10,17H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline?
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline has a molecular weight of 266.82 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 63786189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).