3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline

C17H25ClN2 — CID 64522368

IUPAC3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1ccc(N(CC2CC2)C2CC2)cc1Cl
InChIInChI=1S/C17H25ClN2/c1-3-19-12(2)16-9-8-15(10-17(16)18)20(14-6-7-14)11-13-4-5-13/h8-10,12-14,19H,3-7,11H2,1-2H3
InChIKeyREFIIEPPRNQYRU-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.39
Rot. Bonds7

About 3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline

3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline (PubChem CID 64522368) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline
PubChem CID64522368
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1ccc(N(CC2CC2)C2CC2)cc1Cl
InChIInChI=1S/C17H25ClN2/c1-3-19-12(2)16-9-8-15(10-17(16)18)20(14-6-7-14)11-13-4-5-13/h8-10,12-14,19H,3-7,11H2,1-2H3
InChIKeyREFIIEPPRNQYRU-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline?
The IUPAC name of 3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline (CID 64522368) is 3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline is CCNC(C)c1ccc(N(CC2CC2)C2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline?
The InChIKey is REFIIEPPRNQYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-3-19-12(2)16-9-8-15(10-17(16)18)20(14-6-7-14)11-13-4-5-13/h8-10,12-14,19H,3-7,11H2,1-2H3.
What are the key properties of 3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline?
3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline has a molecular weight of 292.85 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline is sourced from PubChem (CID 64522368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).